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@INBOOK{Bru1993,
  chapter = {24},
  pages = {24.1--24.27},
  title = {Physical origins ond theoretical models of magnetic anisotropy},
  year = {1993},
  author = {P. Bruno},
  crossref = {IFFFK24},
  language = {english},
  owner = {torsten},
  timestamp = {2006.05.30}
}

@INBOOK{Gre2001,
  pages = {94--110},
  title = {Probing the {E}lectronic {S}tates of {B}and {F}erromagnets with {P}hotoemission},
  author = {Thomas Greber},
  abstract = {Angle scanned photoemission experiments that map the electronic band
	structure up to 5 kBT above the Fermi level are reviewed. After a
	short tutorial of the basic principles for the interpretation of
	angular resolved photoemission (ARUPS) experimental data on the band
	ferromagnet nickel are presented. The exchange splitting of the sp-bands
	and the d-bands can be accurately determined. The influence of the
	temperature and adsorbate layers on the magnetism of the surface
	are investigated. 
	
	 For clean nickel metal the ferromagnetic - paramagnetic phase transition
	is observed in detail. It is found that the exchange splitting follows
	- within the accuracy of the experiment - the bulk magnetization
	and disappears at the Curie temperature [1]. A magnetically "active"
	region in ${\vec {\rm k}}$-space, where sp and d minority bands coincide
	on the Fermi surface is inspected. 
	
	 A monolayer of hexagonal boron nitride on Ni(111) strongly influences
	the Fermi surface of the interface. The formally insulating h-BN
	acts as an atomic grating and induces umklapp processes. It is seen
	how the exchange splitting is affected and that the overlayer changes
	the relative spin asymmetry of exchange split sp-bands.},
  comment = {200-Band},
  crossref = {BDN2001},
  language = {english},
  owner = {ohm},
  timestamp = {2006.08.07},
  url = {http://www.springerlink.com/openurl.asp?genre=article&issn=1616-6361&volume=580&spage=94}
}

@INBOOK{Woh1980,
  chapter = {1},
  pages = {1--70},
  title = {{I}ron, {C}obalt and {N}ickel},
  author = {Erich Peter Wohlfarth},
  series = {Ferromagnetic Materials: A Handbook on the Properties of Magnetically
	Ordered Substances},
  crossref = {Woh1980Book},
  isbn = {\mbox{0 444 85311 1}},
  language = {english},
  owner = {ohm},
  ps = {InBooks/Wohlfarth.djvu},
  timestamp = {2006.05.15}
}

@ARTICLE{And1975,
  author = {Ole Krogh Andersen},
  title = {Linear methods in band theory},
  journal = {{P}hysical {R}eview {B}},
  year = {1975},
  volume = {12},
  pages = {3060--3083},
  number = {8},
  month = oct,
  abstract = {Two approximate methods for solving the band-structure problem in
	an efficient and physically transparent way are presented and discussed
	in detail. The variational principle for the one-electron Hamiltonian
	is used in both schemes, and the trial functions are linear combinations
	of energy-independent augmented plane waves (APW) and muffin-tin
	orbitals (MTO), respectively. The secular equations are therefore
	eigenvalue equations, linear in energy. The trial functions are defined
	with respect to a muffin-tin (MT) potential and the energy bands
	depend on the potential in the spheres through potential parameters
	which describe the energy dependence of the logarithmic derivatives.
	Inside the spheres, the energy-independent APW is that linear combination
	of an exact solution, at the arbitrary but fixed energy Eν, and its
	energy derivative which matches continuously and differentiably onto
	the plane-wave part in the interstitial region. The energies obtained
	with the linear-APW method for the MT potential have errors of order
	(E-Ev)4. Similarly, the energy-independent MTO is that linear combination
	which matches onto that solution of the Laplace equation in the interstitial
	region which is regular at infinity. The energies obtained with the
	linear-MTO method have additional errors of order (E-Vmtz)2, arising
	from the interstitial region where the potential is Vmtz. The linear-APW
	(LAPW) method combines desirable features of the APW and OPW methods;
	it can treat d bands, the energy dependence of its pseudopotential
	is linear and, owing to the smoothness of the energy-independent
	APW at the spheres, non-MT contributions to the potential are included
	principally through their Fourier components. The linear-MTO (LMTO)
	method is particularly suited for closely packed structures and it
	combines desirable features of Korringa-Kohn-Rostoker, linear-combination-of-atomic-orbitals,
	and cellular methods; the secular matrix is linear in energy, the
	overlap integrals factorize as potential parameters and structure
	constants, the latter are canonical in the sense that they neither
	depend on the energy nor the cell volume and they specify the boundary
	conditions on a single MT or atomic sphere in the most convenient
	way. This method is very well suited for self-consistent calculations.
	The empty-lattice test is applied to the linear-MTO method and the
	free-electron energy bands are accurately reproduced. Finally, it
	is shown how relativistic effects may be included in both the LAPW
	and LMTO methods.},
  doi = {10.1103/PhysRevB.12.3060},
  language = {english},
  numpages = {23},
  owner = {ohm},
  pdf = {PRB/PRB12_03060.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.25},
  url = {http://link.aps.org/abstract/PRB/v12/p3060}
}

@ARTICLE{And1970,
  author = {Andersen, Ole Krogh},
  title = {Electronic {S}tructure of the fcc {T}ransition {M}etals {I}r, {R}h,
	{P}t, and {P}d},
  journal = {{P}hysical {R}eview {B}},
  year = {1970},
  volume = {2},
  pages = {883--906},
  number = {4},
  month = aug,
  abstract = {We give a complete description of a relativistic augmented-plane-wave
	calculation of the band structures of the paramagnetic fcc transition
	metals Ir, Rh, Pt, and Pd. The width and position of the d band decrease
	in the sequence Ir, Pt, Rh, Pd; and N(EF)=13.8,23.2,18.7, and 32.7
	(states/atom)/Ry, respectively. Spin-orbit coupling is important
	for all four metals and the coupling parameter varies by 30% over
	the d bandwidth. Detailed comparisons with de Haas—van Alphen Fermi-surface
	dimensions have previously been presented and the agreement was very
	good. Comparison with measured electronic specific-heat coefficients
	γ and cyclotron masses indicate that the average mass enhancements
	are 1.37, 1.44, 1.63, and 1.66 for Ir, Rh, Pt, and Pd, respectively;
	and that for both Pt and Pd the partial enhancements on the closed
	electron surface and on the open hole surface are 1.51 and 1.68,
	respectively. Saddle points in the fifth band are important for the
	large peak in N(E) near the top of the d band. The experimental γ(x)
	for RhxPd1-x is not uniformly enhanced over the calculated rigid-band
	γ(x). The experimentally observed field and temperature dependences
	of the magnetic susceptibility for Pd are consistent with the calculated
	N(E).},
  doi = {10.1103/PhysRevB.2.883},
  numpages = {23},
  owner = {torsten},
  pdf = {PRB/PRB02_00883.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.28},
  url = {http://prola.aps.org/abstract/PRB/v2/i4/p883_1}
}

@ARTICLE{AJ1984,
  author = {Andersen, Ole Krogh and Jepsen, Ove},
  title = {Explicit, {F}irst-{P}rinciples {T}ight-{B}inding {T}heory},
  journal = {{P}hysical {R}eview {L}etters},
  year = {1984},
  volume = {53},
  pages = {2571--2574},
  number = {27},
  month = dec,
  abstract = {The minimal base of muffin-tin orbitals is transformed exactly into
	a tight-binding base. The linear transformations, the orbitals, and
	the Hamiltonian, overlap, and Green's function matrices are expressed
	in terms of one matrix, the canonical structure matrix Sij. It vanishes
	beyond second-nearest neighbors and is tabulated. Tight-binding two-center
	forms with transfer integrals proportional to Sij are derived.},
  doi = {10.1103/PhysRevLett.53.2571},
  keywords = {PACS: 71.10.+x, 71.25.Cx},
  numpages = {3},
  owner = {torsten},
  pdf = {PRL/PRL53_02571.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.24},
  url = {http://link.aps.org/abstract/PRL/v53/p2571}
}

@ARTICLE{And1967,
  author = {Anderson, Philip Warren},
  title = {Infrared {C}atastrophe in {F}ermi {G}ases with {L}ocal {S}cattering
	{P}otentials},
  journal = {{P}hysical {R}eview {L}etters},
  year = {1967},
  volume = {18},
  pages = {1049--1051},
  number = {24},
  month = Jun,
  abstract = {We prove that the ground state of a system of N fermions is orthogonal
	to the ground state in the presence of a finite range scattering
	potential, as N→∞. This implies that the response to application
	of such a potential involves only emission of excitations into the
	continuum, and that certain processes in Fermi gases may be blocked
	by orthogonality in a low-T, low-energy limit.},
  doi = {10.1103/PhysRevLett.18.1049},
  numpages = {2},
  owner = {torsten},
  pdf = {PRL/PRL18_01049.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.06.27},
  url = {http://link.aps.org/abstract/PRL/v18/p1049}
}

@ARTICLE{And1961,
  author = {Anderson, Philip Warren},
  title = {Localized {M}agnetic {S}tates in {M}etals},
  journal = {{P}hysical {R}eview},
  year = {1961},
  volume = {124},
  pages = {41--53},
  number = {1},
  month = Oct,
  abstract = {The conditions necessary in metals for the presence or absence of
	localized moments on solute ions containing inner shell electrons
	are analyzed. A self-consistent Hartree-Fock treatment shows that
	there is a sharp transition between the magnetic state and the nonmagnetic
	state, depending on the density of states of free electrons, the
	s-d admixture matrix elements, and the Coulomb correlation integral
	in the d shell; that in the magnetic state the d polarization can
	be reduced rather severely to nonintegral values, without appreciable
	free electron polarization because of a compensation effect; and
	that in the nonmagnetic state the virtual localized d level tends
	to lie near the Fermi surface. It is emphasized that the condition
	for the magnetic state depends on the Coulomb (i.e., exchange self-energy)
	integral, and that the usual type of exchange alone is not large
	enough in d-shell ions to allow magnetic moments to be present. We
	show that the susceptibility and specific heat due to the inner shell
	electrons show strongly contrasting behavior even in the nonmagnetic
	state. A calculation including degenerate d orbitals and d-d exchange
	shows that the orbital angular momentum can be quenched, even when
	localized spin moments exist, and even on an isolated magnetic atom,
	by kinetic energy effects.},
  doi = {10.1103/PhysRev.124.41},
  numpages = {12},
  owner = {torsten},
  pdf = {PR/PR124_00041.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.06.27},
  url = {http://link.aps.org/abstract/PR/v124/p41}
}

@ARTICLE{ATFp1995,
  author = {A. Aspelmeier and M. Tischer and M. Farle and M. Russo and K. Baberschke
	and D. Arvanitis},
  title = {Ac susceptibility measurements of magnetic monolayers: {MCXD}, {MOKE},
	and mutual inductance},
  journal = {Journal of Magnetism and Magnetic Materials},
  year = {1995},
  volume = {146},
  pages = {256--266},
  number = {3},
  month = May,
  abstract = {A refined analysis of dispersive and absorptive contributions to the
	complex magnetic susceptibility yields detailed information on magnetic
	and structural properties of ultrathin films. The new ac modulated
	magnetic circular X-ray dichroism (MCXD) technique is described in
	detail. Experimental results from measurements at the L2,3 edges
	of Ni and Co films are discussed in a more general framework including
	modulated magneto-optic Kerr effect and mutual inductance measurement
	of Gd films. A comparison of the experimentally determined small
	demagnetizing factors (N| not, vert, similar 10−3) of monolayers
	allows us to draw conclusions on the structure of the film. In addition,
	we show by element specific ac MCXD susceptibility measurements that
	in a 1.3 ML Co/5.3 ML Ni bilayer the coupled films become ferromagnetic
	at the same Curie temperature.},
  doi = {10.1016/0304-8853(95)00025-9},
  language = {english},
  owner = {ohm},
  pdf = {JMMM/JMMM146_1995_00256.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/0304-8853(95)00025-9}
}

@ARTICLE{BW1981,
  author = {P. S. Bagus and A. R. Williams},
  title = {Electronic {S}tructure {T}heory},
  journal = {IBM Journal of Research and Development},
  year = {1981},
  volume = {25},
  pages = {793--810},
  number = {5},
  month = sep,
  abstract = {This paper reviews the history of IBM contributions over the last
	quarter century to electronic structure theory. The two main sections
	of the paper deal with large-scale computations in quantum chemistry
	and the study of the electronic structure of solids. The paper briefly
	discusses the methods of ab initio quantum chemistry, a field in
	which IBMers have devoted major effort and made substantial innovative,
	scientific contributions. Partly as a result of these contributions,
	it is now possible to use these methods to address theoretically
	problems of practical importance in chemistry. Major contributions
	toward understanding the electronic structure of solids, particularly
	with regard to metallic bonding, surface electronic structure, the
	nature of magnetism, and semiconductor defects, are discussed as
	well as pioneering efforts in the analysis of photoemission and low-energy
	electron diffraction data.},
  owner = {torsten},
  pdf = {IBMJournalResearchDevelopment25_0793.pdf},
  timestamp = {2006.08.05}
}

@ARTICLE{BH1972,
  author = {Ulf von Barth and Lars Hedin},
  title = {A local exchange-correlation for the spin polarized case: {I}},
  journal = {Journal of Physics C: Solid State Physics},
  year = {1972},
  volume = {5},
  pages = {1629--1642},
  number = {13},
  month = jul,
  abstract = {The local density theory is developed by Hohenberg, Kohn and Sham
	is extended to the spin polarized case. A spin dependent one- electron
	potential pertinent to ground state properties is obtained from calculations
	of the total energy per electron made with a 'bubble' (or random
	phase) type of dielectric function. The potential is found to be
	well represented by an analytic expression corresponding to a shifted
	and rescaled spin dependent Slater potential. To test this potential
	the momentum dependent spin susceptibility of an electron gas is
	calculated. The results compare favourably with available information
	from other calculations and from experiment. The potential obtained
	in this paper should be useful for split band calculations of magnetic
	materials.},
  doi = {10.1088/0022-3719/5/13/012},
  owner = {torsten},
  pdf = {JPhysC/JPhysCSSP05_1629.pdf},
  timestamp = {2006.08.05},
  url = {http://dx.doi.org/10.1088/0022-3719/5/13/012}
}

@ARTICLE{BMB2002,
  author = {F. Bensch and R. Moosbühler and G. Bayreuther},
  title = {Onset of magnetic anisotropy in epitaxial {F}e films on {GaAs}(001)},
  journal = {{J}ournal of {A}pplied {P}hysics},
  year = {2002},
  volume = {91},
  pages = {8754--8756},
  number = {10},
  month = may,
  abstract = {It was shown previously that ultrathin Fe films epitaxially grown
	on GaAs(001) exhibit a strong in-plane uniaxial magnetic anisotropy
	which turns out to be a pure interface contribution with an anisotropy
	constant KUS, expressed as an energy per unit area, which is constant
	in a wide thickness range. However, for films thinner than ~10 monolayers
	(ML), KUS decreases with decreasing thickness when measured at 300
	K. In order to eliminate effects of thermal excitations, Fe(001)
	films grown on GaAs(001) by molecular beam epitaxy were investigated
	by superconducting quantum interference device magnetometry at low
	temperature. The extrapolated room temperature values and the ground
	state data both indicate that KUS vanishes at t = 2.5 ML. This is
	the thickness at which the onset of ferromagnetism takes place, i.e.,
	where the Curie temperature TC becomes nonzero. This might be interpreted
	as a verification of the Mermin–Wagner theorem in the sense that
	long-range ferromagnetic order is stabilized by the magnetic anisotropy.
	It is discussed whether the onset of ferromagnetism is indeed triggered
	by the appearance of magnetic anisotropy or if there is a common
	origin of both phenomena. Finally, it is found that the uniaxial
	anisotropy does not vanish at TC, but persists up to temperatures
	of ~1.5 TC. This means that KUS does not scale with a certain power
	of the spontaneous magnetization. The disparity between the persistence
	of the anisotropy above TC and its disappearance below the critical
	thickness of 2.5 ML is discussed. ©2002 American Institute of Physics.},
  doi = {10.1063/1.1456391},
  keywords = {PACS: 75.70.Ak, 75.50.Bb, 75.30.Gw, 75.30.Kz, 75.30.Cr},
  language = {english},
  owner = {ohm},
  pdf = {JAP/JAP91_08754.pdf},
  timestamp = {2006.07.17},
  url = {http://dx.doi.org/10.1063/1.1456391}
}

@ARTICLE{Bic1987,
  author = {N. E. Bickers},
  title = {Review of techniques in the large-{N} expansion for dilute magnetic
	alloys},
  journal = {{R}eview of {M}odern {P}hysics},
  year = {1987},
  volume = {59},
  pages = {845--939},
  number = {4},
  month = Oct,
  abstract = {Magnetic ions embedded in a nonmagnetic host exhibit a number of unusual
	low-temperature properties known collectively as the Kondo effect.
	Conventional small-parameter expansions for the Kondo effect are
	plagued by infrared divergences, and the theory of dilute magnetic
	alloys has for many years centered on nonperturbative techniques.
	This paper reviews a novel perturbative approach to the magnetic
	alloy problem based on expansion in 1/N, with N the ionic angular
	momentum degeneracy. This approach is analogous to perturbative expansions
	in statistical mechanics and field theory based on an integer-valued
	parameter (such as the number of spin components or the number of
	colors). The large-N expansion reproduces the essential features
	of the Kondo effect at O(1) and appears to yield convergent (or asymptotic)
	expressions for ground-state properties. In contrast with previous
	nonperturbative approaches, the expansion provides information on
	dynamic, as well as static, properties. The evidence for convergence
	of the expansion is reviewed, and large-N calculations are compared
	with exact results for static properties. A number of independent,
	but essentially equivalent, approaches to the large-N expansion have
	been developed during the last five years. These techniques are reviewed
	pedagogically, and their relative strengths and weaknesses emphasized.
	A guide to notation in the recent literature is provided.},
  doi = {10.1103/RevModPhys.59.845},
  owner = {torsten},
  pdf = {RMP59_00845.pdf},
  timestamp = {2006.06.27},
  url = {http://link.aps.org/abstract/RMP/v59/p845}
}

@MANUAL{BSL1999,
  title = {{\textsc{WIEN}97}, {A} full potential linearized augmented plane
	wave package for calculating crystal properties},
  author = {Peter Blaha and Karlheinz Schwarz and Joachim Luitz},
  organization = {Technische Universität Wien, Austria},
  year = {1999},
  isnb = {\mbox{3~9501031~0~4}},
  owner = {ohm},
  timestamp = {2005.09.16}
}

@MANUAL{Wien2k,
  title = {\mbox{WIEN2k}, {A}n {A}ugmented {P}lane {W}ave + {L}ocal {O}rbitals
	{P}rogram for {C}alculating {C}rystal {P}roperties},
  author = {Peter Blaha and Karlheinz Schwarz and Georg K. H. Madsen and Dieter
	Kvasnicka and Joachim Luitz},
  organization = {Technische Universität Wien, Austria},
  year = {2001},
  isbn = {\mbox{3 9501031 1 2}},
  owner = {torsten},
  timestamp = {2006.06.27}
}

@ARTICLE{BBJp1991,
  author = {J. A. C. Bland and R. D. Bateson and Anthony D. Johnson and Bretislav
	Heinrich and Zbigniew Celinski and H. J. Lauter},
  title = {Magnetic properties of ultrathin bcc {Fe}(001) films grown epitaxially
	on {Ag}(001) substrates},
  journal = {{J}ournal of {M}agnetism and {M}agnetic {M}aterials},
  year = {1991},
  volume = {93},
  pages = {331--335},
  month = Feb,
  abstract = {We have used polarised neutron reflection (PNR) to determine the absolute
	value of the ground state magnetic moment per atom of a Au/9 ML bcc
	Fe/Ag(001) epitaxial sandwich and of a Au/3 ML bcc Ni/5 ML bcc Fe/Ag(001)
	epitaxial sandwich grown by MBE. For the 9 ML Fe sample, we deduce
	a ferromagnetic moment per Fe atom in the range 1.9–2.2μB, close
	to the bulk value and in agreement with FMR results. By comparing
	these results with that of a reduced Fe moment previously obtained
	for a Ag/8 ML Fe/Ag(001) sample, we conclude that extremely high
	quality epitaxial growth is likely to be required to test the recent
	theoretical predictions of enhanced moments in such ultrathin Fe
	layers. For the 3 ML Ni/5 ML Fe sample the data are consistent with
	a moment per Fe atom of at least the bulk value of 2.2μB, a moment
	per Ni atom of at least 0.55μB and ferromagnetic coupling between
	the Fe and Ni layer magnetisations.},
  doi = {10.1016/0304-8853(91)90356-F},
  language = {english},
  owner = {ohm},
  pdf = {JMMM/JMMM093_1991_00331.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/0304-8853(91)90356-F}
}

@ARTICLE{BJA1994,
  author = {Peter E. Blöchl and Ove Jepsen and Ole Krogh Andersen},
  title = {Improved tetrahedron method for brillouin-zone integrations},
  journal = {Physical {R}eview {B} ({C}ondensed {M}atter)},
  year = {1994},
  volume = {49},
  pages = {16223--16233},
  number = {23},
  month = jun,
  abstract = {Several improvements of the tetrahedron method for {B}rillouin-zone
	integrations are presented. (1) {A} translational grid of k points
	and tetrahedra is suggested that renders the results for insulators
	identical to those obtained with special-point methods with the same
	number of k points. (2) {A} simple correction formula goes beyond
	the linear approximation of matrix elements within the tetrahedra
	and also improves the results for metals significantly. {F}or a required
	accuracy this reduces the number of k points by orders of magnitude.
	(3) {I}rreducible k points and tetrahedra are selected by a fully
	automated procedure, requiring as input only the space-group operations.
	(4) {T}he integration is formulated as a weighted sum over irreducible
	k points with integration weights calculated using the tetrahedron
	method once for a given band structure. {T}his allows an efficient
	use of the tetrahedron method also in plane-wave-based electronic-structure
	methods.},
  doi = {10.1103/PhysRevB.49.16223},
  keywords = {BAND THEORY CALCULATIONS; BRILLOUIN ZONES; CALCULATION METHODS; SPACE
	GROUPS; AUTOMATION; ELECTRONIC STRUCTURE; PERIODIC SYSTEM; NUMERICAL
	SOLUTION},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB49_16223.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PRB/v49/p16223}
}

@ARTICLE{BCJ1992,
  author = {Brookes, N. B. and Clarke, A. and Johnson, P. D.},
  title = {Electronic and magnetic structure of bcc nickel},
  journal = {Physical Review B},
  year = {1992},
  volume = {46},
  pages = {237--241},
  number = {1},
  month = jul,
  abstract = {The electronic and magnetic structure of metastable bcc nickel grown
	on Fe(001) has been investigated using spin-polarized angle-resolved
	photoemission. At the iron lattice constant bcc nickel is found to
	be ferromagnetic, with a moment of (0.4±0.45)μB in reasonable agreement
	with theoretical predictions, and with a Curie temperature above
	300 K. A ‘‘6-eV’’ spin-polarized satellite is also observed, analogous
	to that seen for fcc nickel previously. The observation of spin polarization
	in this feature confirms the presence of long-range ferromagnetic
	order at the local nickel sites.},
  doi = {10.1103/PhysRevB.46.237},
  keywords = {PACS: 75.70.-i},
  language = {english},
  numpages = {4},
  owner = {ohm},
  pdf = {PRB/PRB46_00237.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRB/v46/p237}
}

@ARTICLE{Bro1965,
  author = {C. G. Broyden},
  title = {A {C}lass of {M}ethods for {S}olving {N}onlinear {S}imultaneous {E}quations},
  journal = {{M}athematics of {C}omputation},
  year = {1965},
  volume = {19},
  pages = {577--593},
  number = {92},
  month = oct,
  owner = {ohm},
  timestamp = {2006.06.29}
}

@PHDTHESIS{DissBue,
  author = {Jörg Bünemann},
  title = {Verallgemeinerte {G}utzwiller-{W}ellenfunktion},
  school = {Universität Dortmund},
  year = {1998},
  month = Jun,
  owner = {ohm},
  pdf = {/homes/ohm/Documents/Dissertationen/Buenemann.pdf},
  timestamp = {2006.04.27},
  url = {http://hdl.handle.net/2003/2387}
}

@ARTICLE{BGOp2003,
  author = {J. Bünemann and F. Gebhard and T. Ohm and R. Umstätter and S. Weiser
	and W. Weber and R. Claessen and D. Ehm and A. Harasawa and A. Kakizaki
	and A. Kimura and G. Nicolay and S. Shin and V. N. Strocov},
  title = {Atomic {C}orrelations in {I}tinerant {F}erromagnets: {Q}uasi-{P}article
	{B}ands of {N}ickel},
  journal = {{E}urophysics {L}etters},
  year = {2003},
  volume = {62},
  pages = {667-673},
  number = {5},
  month = mar,
  abstract = {The Gutzwiller theory is demonstrated to resolve most of the long-standing
	discrepancies between experiment and theory on the quasi-particle
	bands of ferromagnetic nickel. This is confirmed by new angle-resolved
	photoelectron spectroscopy data along various high-symmetry lines
	of the bulk Brillouin zone obtained under full control of the three-dimensional
	momentum. Our findings support the view of itinerant ferromagnetism
	as a consequence of atomic correlations.},
  doi = {10.1209/epl/i2003-00128-3},
  keywords = {PACS 
	
	71.20.Be - Transition metals and alloys. 
	
	71.10.Fd - Lattice fermion models (Hubbard model, etc.). 
	
	71.10.Ay - Fermi-liquid theory and other phenomenological models.},
  language = {english},
  owner = {ohm},
  pdf = {EPL/EPL61_00667.pdf},
  timestamp = {2006.07.04},
  url = {http://dx.doi.org/10.1209/epl/i2003-00128-3}
}

@INCOLLECTION{BGOp2005,
  author = {Jörg Bünemann and Florian Gebhard and Torsten Ohm and Stefan Weiser
	and Werner Weber},
  title = {Gutzwiller-{C}orrelated {W}ave {F}unctions: {A}pplication to {F}erromagnetic
	{N}ickel},
  booktitle = {Frontiers in {M}agnetic {M}aterials},
  publisher = {Springer, Berlin, Heidelberg, New~York},
  year = {2005},
  editor = {Narlikar, Anant V.},
  pages = {117-151},
  abstract = {Ferromagnetic {N}ickel is the most celebrated iron group metal with
	pronounced discrepancies between the experimental electronic properties
	and predictions of density functional theories. {I}n this work, we
	show in detail that the recently developed multi-band {G}utzwiller
	theory provides a very good description of the quasi-particle band
	structure of nickel. {W}e obtain the correct exchange splittings
	and we reproduce the experimental {F}ermi-surface topology. {T}he
	correct (111)-direction of the magnetic easy axis and the right order
	of magnitude of the magnetic anisotropy are found. {O}ur theory also
	reproduces the experimentally observed change of the {F}ermi-surface
	topology when the magnetic moment is oriented along the (001)-axis.
	{I}n addition to the numerical study, we give an analytical derivation
	for a much larger class of variational wave-functions than in previous
	investigations. {I}n particular, we cover cases of superconductivity
	in multi-band lattice systems.},
  isbn = {\mbox{3~540~24512~X}},
  language = {english},
  owner = {ohm},
  pdf = {cond-mat/cond-mat_0503332.pdf},
  timestamp = {2006.04.10},
  url = {http://www.springer.com/sgw/cda/frontpage/0,11855,1-40109-22-41988013-0,00.html}
}

@ARTICLE{BGT2003,
  author = {Jörg Bünemann and Florian Gebhard and Rüdiger Thul},
  title = {Landau-{G}utzwiller quasiparticles},
  journal = {Physical {R}eview {B}},
  year = {2003},
  volume = {67},
  pages = {075103},
  number = {7},
  month = feb,
  abstract = {We define {L}andau quasiparticles within the {G}utzwiller variational
	theory and derive their dispersion relation for general multiband
	{H}ubbard models in the limit of large spatial dimensions {D}. {T}hereby
	we reproduce our previous calculations which were based on a phenomenological
	effective single-particle {H}amiltonian. {F}or the one-band {H}ubbard
	model we calculate the first-order corrections in 1/{D} and find
	that the corrections to the quasiparticle dispersions are small in
	three dimensions. {T}hey may be largely absorbed in a rescaling of
	the total bandwidth, unless the system is close to half band filling.
	{T}herefore, the {G}utzwiller theory in the limit of large dimensions
	provides quasiparticle bands which are suitable for a comparison
	with real, three-dimensional {F}ermi liquids.},
  doi = {10.1103/PhysRevB.67.075103},
  keywords = {71.10.Fd, 71.10.Ay, 71.18.+y, 71.27.+a},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB67_075103.pdf},
  timestamp = {2006.04.10},
  url = {http://link.aps.org/abstract/PRB/v67/e075103}
}

@ARTICLE{BGW2000,
  author = {Bünemann, Jörg and Gebhard, Florian and Weber, Werner},
  title = {Multi-{B}and {G}utzwiller {W}ave {F}unctions for {I}tinerant {F}erromagnetism},
  journal = {Foundations of Physics},
  year = {2000},
  volume = {30},
  pages = {2011--2031},
  number = {12},
  month = dec,
  abstract = {Multi-band Gutzwiller-correlated wave functions reconcile the contrasting
	concepts of itinerant band electrons versus electrons localized in
	partially filled atomic shells. The approximate evaluation of these
	variational ground states becomes exact in the limit of large coordination
	number. The result allows the identification of quasi-particle band
	structures for correlated electron systems. As a first application,
	we summarize a study of itinerant ferromagnetism in a two-band model,
	thereby elucidating the co-operation of the Coulomb repulsion and
	the Hund's-rule exchange. Then, we present results of calculations
	for ferromagnetic nickel, using a realistic 18 spin-orbital basis
	of 4s, 4p and 3d valence electrons. Good agreement with the experimental
	ground-state properties of nickel is obtained. In particular, the
	quasi-particle energy bands agree much better with the photo-emission
	and Fermi surface data than the band structure obtained from spin-density
	functional theory. Finally, we present results for the variational
	spinwave dispersion for our two-band model.},
  doi = {doi:10.1023/A:1003733306203},
  owner = {torsten},
  pdf = {FoP30_02011.pdf},
  timestamp = {2006.08.04},
  url = {http://dx.doi.org/10.1023/A:1003733306203}
}

@ARTICLE{BGW1998,
  author = {Jörg Bünemann and Florian Gebhard and Werner Weber},
  title = {Multiband {G}utzwiller wave functions for general on-site interactions},
  journal = {Physical {R}eview {B}},
  year = {1998},
  volume = {57},
  pages = {6896–6916},
  number = {12},
  month = mar,
  abstract = {We introduce {G}utzwiller wave functions for multiband models with
	general on-site {C}oulomb interactions. {A}s these wave functions
	employ correlators for the exact atomic eigenstates, they are exact
	both in the noninteracting and atomic limits. {W}e evaluate them
	in infinite lattice dimensions for all interaction strengths without
	any restrictions on the structure of the {H}amiltonian or the symmetry
	of the ground state. {T}he results for the ground-state energy allow
	us to derive an effective one-electron {H}amiltonian for {L}andau
	quasiparticles, applicable for finite temperatures and frequencies
	within the {F}ermi-liquid regime. {A}s applications for a two-band
	model we study the {B}rinkman-{R}ice metal-to-insulator transition
	at half-band-filling, and the transition to itinerant ferromagnetism
	for two specific fillings, at and close to a peak in the density
	of states of the noninteracting system. {O}ur results significantly
	differ from those for earlier {G}utzwiller wave functions where only
	density-type interactions were included. {W}hen the correct spin
	symmetries for the two-electron states are taken into account, the
	importance of the {H}und’s-rule exchange interaction is even more
	pronounced, and leads to paramagnetic metallic ground states with
	large local magnetic moments. {F}erromagnetism requires fairly large
	interaction strengths, and the resulting ferromagnetic state is a
	strongly correlated metal.},
  doi = {10.1103/PhysRevB.57.6896},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB57_06896.pdf},
  timestamp = {2006.04.10},
  url = {http://link.aps.org/abstract/PRB/v57/p6896}
}

@ARTICLE{CUH1997,
  author = {Z. Celinski and K. B. Urquhart and B. Heinrich},
  title = {Using ferromagnetic resonance to measure the magnetic moments of
	ultrathin films},
  journal = {{J}ournal of {M}agnetism and {M}agnetic {M}aterials},
  year = {1997},
  volume = {166},
  pages = {6--26},
  number = {1},
  month = Feb,
  abstract = {A technique that uses ferromagnetic resonance (FMR) to measure the
	saturation magnetization of ultrathin ferromagnetic films is described.
	It has been used to measure the layer averaged magnetic moments of
	ultrathin Fe films located in Ag/Fe/Ag, Au/Fe/Ag, Cu/Fe/Ag, Pd/Fe/Ag,
	and Ni/Fe/Ag structures relative to that of an Au/5.7 ML Fe/Ag reference
	film. The ratios obtained using method have a total measurement error
	of a little over 1%. The measurements were carried out to investigate
	theoretical predictions that Fe atoms located at or near surfaces
	and interfaces should possess enhanced magnetic moments compared
	those of Fe atoms in the bulk. All of the bcc Fe(001) films used
	in our work were approximately 5 monatomic layers (ML) thick and
	were all grown on bulk fcc Ag(001) substrates. The covering layers
	of Cu, Pd, and Ag were all 7 ML thick while the covering layers of
	Ni were 2–3 ML thick and the covering layers of Au were 20 ML thick.
	All FMR measurements were carried out at a temperature of 77 K. An
	Ag/5.5 ML Fe/Ag specimen and an Ag/10.9 ML Fe/Ag specimen (the thick
	Fe specimen) were determined to have a moment of ratio of 1.06 ±
	0.01. This compared well to a layer averaged, ground state, moment
	ratio of 1.05 calculated for the two films using results obtained
	from published first principles calculations. Ratios of 1.08 ± 0.01
	and 1.10 ± 0.01 were obtained for Au/5.7 Fe/Ag and Cu/5.8 Fe/Ag structures,
	respectively, when compared to the thick Fe specimen. In a similar
	manner, ratios of 1.11 ± 0.01 and 1.12 ± 0.01, respectively, were
	determined for Pd/5.6 Fe/Ag and Pd/5.7 Fe/Ag sandwiches. Finally,
	the layer averaged moment of a 2 Ni/5.7 Fe/Ag structure was in a
	ratio of 1.15 ± 0.01 with the thick Fe specimen while two 3 Ni/5.7
	Fe/Ag sandwiches were in ratios of 1.24 ± 0.01 and 1.20 ± 0.01, respectively.
	All measured values were in excellent agreement with published first-principles
	calculations and with the layer averaged moments obtained from polarized
	neutron reflection (PNR) studies carried out on many of our specimens.},
  doi = {10.1016/S0304-8853(96)00428-3},
  keywords = {Ferromagnetic resonance; Magnetic moments; Ultrathin films},
  language = {english},
  owner = {ohm},
  pdf = {JMMM/JMMM166_1997_00006.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/S0304-8853(96)00428-3}
}

@ARTICLE{CDKp1979,
  author = {Crabtree, G. W. and Dye, D. H. and Karim, D. P. and Koelling, D.
	D. and Ketterson, J. B.},
  title = {Anisotropic {M}any-{B}ody {E}ffects in the {Q}uasiparticle {V}elocity
	of Nb},
  journal = {{P}hysical {R}eview {L}etters},
  year = {1979},
  volume = {42},
  pages = {390--393},
  number = {6},
  month = Feb,
  abstract = {Fermi radii and velocities are determined by deconvoluting de Haas—van
	Alphen data. Comparison of these data with accurate augmented—plane-wave
	band-structure results establishes the reliability of the augmented—plane-wave
	calculations and allows a determination of the anisotropic many-body
	enhancement factor λ(k→). The Fermi-surface average 〈λ〉 of 1.33 suggests
	a large electron-electron contribution. Our anisotropic λ(k) provide
	a detailed test and guide for model calculations of many-body enhancement.},
  doi = {10.1103/PhysRevLett.42.390},
  language = {english},
  numpages = {3},
  owner = {ohm},
  pdf = {PRL/PRL42_00390.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.06.28},
  url = {http://link.aps.org/abstract/PRL/v42/p390}
}

@BOOK{Cra1995,
  title = {Magnetism - principles and applications},
  publisher = {John~Wiley~\&~Sons~Inc.},
  year = {1995},
  author = {Derek Craik},
  month = apr,
  isbn = {\mbox{0 471 92959 X}, \mbox{0 471 95417 9 (Paperback)}},
  owner = {torsten},
  review = {BP: 200 Crai},
  timestamp = {2006.05.30},
  url = {http://eu.wiley.com/WileyCDA/WileyTitle/productCd-0471954179.html}
}

@ARTICLE{DD1969,
  author = {N. W. Dalton and R. A. Deegan},
  title = {On the structure of the transition metals {II}. {C}omputed densities
	of states},
  journal = {{J}ournal of {P}hysics {C}: {S}olid {S}tate {P}hysics},
  year = {1969},
  volume = {2},
  pages = {2369-2372},
  number = {12},
  month = dec,
  abstract = {One of the band-structure calculations proposed by Deegan in a previous
	paper to explain the observed crystalline structures of the transition
	metals has now been completed. The results provide a quantitatively
	satisfactory explanation for the occurrence of the body-centred cubic
	phase near the centre of the three transition series. However, the
	calculation fails to favour the close-packed structure near the noble
	metal end of the series, suggesting that the effective hard-core
	repulsion between nearly closed d shells is not contained in the
	total band-structure energy, at least when the self-consistent dependence
	of the potential on structure is neglected.},
  doi = {10.1088/0022-3719/2/12/321},
  owner = {torsten},
  pdf = {JPhysC/JPhysC02_02369.pdf},
  timestamp = {2006.07.28},
  url = {http://www.iop.org/EJ/abstract/0022-3719/2/12/321}
}

@ARTICLE{Dee1968,
  author = {R. A. Deegan},
  title = {On the structure of the transition metals},
  journal = {{J}ournal of {P}hysics {C}: {S}olid {S}tate {P}hysics},
  year = {1968},
  volume = {1},
  pages = {763--766},
  number = {3},
  month = jun,
  abstract = {Recent developments in the d resonance theory are used to discuss
	the structure of the transition metals and to present an explanation
	for the occurrence of the body-centred cubic phase.},
  doi = {10.1088/0022-3719/1/3/326},
  owner = {torsten},
  pdf = {JPhysC/JPhysC01_00763.pdf},
  timestamp = {2006.07.28},
  url = {http://www.iop.org/EJ/abstract/0022-3719/1/3/326}
}

@ARTICLE{DC1971,
  author = {Ducastelle, Francois and Cyrot-Lackmann, Françoise},
  title = {Moments developments: {II}. {A}pplication to the crystalline structures
	and the stacking fault energies of transition metals},
  journal = {{J}ournal of {P}hysics and {C}hemistry of {S}olids},
  year = {1971},
  volume = {32},
  pages = {285--301},
  number = {1},
  month = jan,
  abstract = {The cohesive energy of transition metals and their stacking fault
	energies in compact phases are studied in a tight binding scheme
	using an expansion of the density of states in its moments. A precise
	discussion of the relative stability of compact structures is given,
	showing in particular that h.c.p. is stabilized by a slight reduction
	of the c/a ratio from its ideal value. Stacking fault energies are
	then studied; the results are in good agreement with the few existing
	experimental data and some suggestions of interesting experimental
	situations are made.},
  doi = {10.1016/S0022-3697(71)80031-8},
  owner = {torsten},
  pdf = {JPhysChemSolids/PhysChemSolids32_00285.pdf},
  timestamp = {2006.07.28},
  url = {http://www.dx.doi.org/10.1016/S0022-3697(71)80031-8}
}

@ARTICLE{DC1970,
  author = {Francois Ducastelle and Françoise Cyrot-Lackmann},
  title = {Moments developments and their application to the electronic charge
	distribution of d bands},
  journal = {{J}ournal of {P}hysics and {C}hemistry of {S}olids},
  year = {1970},
  volume = {31},
  pages = {1295--1306},
  number = {6},
  month = jun,
  abstract = {A systematic study of the d electronic charge distribution of transition
	metals is presented. The calculations are done in a tight binding
	scheme using an extension of the expansion of the density of states
	of the d band in its moments. The results are in agreement with experiments,
	showing a contrasting behaviour for the various crystalline structures;
	the top of the band having a marked T2g, character in the b.c.c.
	structure, and in a b.c.c. one, the antibonding states having a slight
	predominant Eg character.},
  doi = {10.1016/0022-3697(70)90134-4},
  owner = {torsten},
  pdf = {JPhysChemSolids/PhysChemSolids31_01295.pdf},
  timestamp = {2006.07.28},
  url = {http://dx.doi.org/10.1016/0022-3697(70)90134-4}
}

@ARTICLE{EV1993,
  author = {Eberhard Engel and Seymour H. Vosko},
  title = {Exact exchange-only potentials and the virial relation as microscopic
	criteria for generalized gradient approximations},
  journal = {Physical {R}eview {B} ({C}ondensed {M}atter)},
  year = {1993},
  volume = {47},
  pages = {13164--13174},
  number = {20},
  month = may,
  abstract = {The information contained in the exact exchange potential of atoms
	as calculated in the optimized-potential model is used to analyze
	generalized approximations ({GGA}'s) from a microscopic viewpoint.
	{I}t is shown that the {GGA} recently introduced by {P}erdew and
	{W}ang [in {E}lectronic {S}tructure of {S}olids 1991, edited by {P}.
	{Z}iesche and {H}. {E}schrig ({A}kademie {V}erlag, {B}erlin, 1991),
	{V}ol. 11] does not significantly improve the exchange potential
	given by the lowest-order gradient correction. {T}his contrasts with
	its excellent reproduction of atomic exchange energies, which is
	shown to be mainly due to cancellation of local errors in the integrand
	of the virial relation for the exchange-energy functional. {U}tilizing
	this virial relation a {GGA} is constructed which reproduces atomic
	exchange potentials considerably better. {T}his functional does not
	give as accurately total exchange energies, although it is superior
	to the second-order gradient expansion. {I}t thus represents a balanced
	approach aiming at an overall improvement rather than focusing on
	the exchange energies only. {I}t is concluded that the concept of
	{GGA}'s due to its simple quasilocal-density dependence is not sufficiently
	flexible to accurately reproduce exchange potentials and exchange
	energies simultaneously. {I}t seems that the criteria for judging
	and constructing approximate exchange functionals put forward in
	this work and the resulting {GGA} give a more realistic view of the
	overall capabilities of {GGA}'s to represent the properties of the
	true exchange-energy functional, e.g., its functional derivatives,
	than previous {GGA}'s.},
  doi = {10.1103/PhysRevB.47.13164},
  editor = {APS},
  keywords = {ATOMS; CALCULATION METHODS; VIRIAL EQUATION; EXCHANGE INTERACTIONS;
	POTENTIAL ENERGY; SPHERICAL CONFIGURATION; CORRECTIONS},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB47_13164.pdf},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PRB/v47/p13164}
}

@ARTICLE{Esc1975,
  author = {P. Escudier},
  title = {L'anisotropie de {L}'aimantation: {U}n paramètre important del l'études
	de l'anisotropie magnétocristalline},
  journal = {{A}nnales de {P}hysique},
  year = {1975},
  volume = {9},
  pages = {125},
  number = {3},
  owner = {ohm},
  timestamp = {2006.07.31}
}

@ARTICLE{Gol1991,
  author = {David Goldberg},
  title = {What {E}very {C}omputer {S}cientist {S}hould {K}now {A}bout {F}loating-{P}oint
	{A}rithmetic},
  journal = {ACM Computing Surveys},
  year = {1991},
  volume = {23},
  pages = {5--48},
  number = {1},
  month = mar,
  abstract = {Floating-point arithmetic is considered as esoteric subject by many
	people. This is rather surprising, because floating-point is ubiquitous
	in computer systems: Almost every language has a floating-point datatype;
	computers from PCs to supercomputers have floating-point accelerators;
	most compilers will be called upon to compile floating-point algorithms
	from time to time; and virtually every operating system must respond
	to floating-point exceptions such as overflow. This paper presents
	a ...},
  doi = {10.1145/103162.103163},
  keywords = {NaN, denormalized number, exception, floating-point, floating-point
	standard, gradual underflow, guard digit, overflow, relative error,
	rounding error, rounding mode, ulp, underflow},
  pdf = {ACM_Computing_Surveys23_00005.pdf},
  url = {http://doi.acm.org/10.1145/103162.103163}
}

@ARTICLE{Gui1897,
  author = {Charles \'Edouard Guillaume},
  title = {Recherches sur les aciers au nickel. {D}ilatations aux températures
	élevées; résistance électrique.},
  journal = {Académie des sciences (France). Comptes rendus hebdomadaires des
	séances de l'Académie},
  year = {1897},
  volume = {125},
  pages = {235--238},
  owner = {ohm},
  timestamp = {2006.08.03}
}

@ARTICLE{GW2000,
  author = {G. Y. Guo and H. H. Wang},
  title = {Gradient-{C}orrected {D}ensity {F}unctional {C}alculation of {E}lastic
	{C}onstants of 
	
	 {Fe}, {Co} and {Ni} in bcc, fcc and hcp {S}tructures},
  journal = {{C}hinese {J}ournal of {P}hysics},
  year = {2000},
  volume = {38},
  pages = {949--961},
  number = {5},
  month = Oct,
  abstract = {Systematic ab initio calculations of lattice constants, elastic constants
	and magnetic moments of Fe, Co and Ni in bcc, fcc and hcp structures
	have been carried out, in part to understand the phase stability
	and magnetic properties of artificial Fe, Co and Ni structures. The
	calculations are based on the local spin-density functional theory
	with generalized gradient corrections (GGA) which are found to describe
	the properties of these materials rather well. In particular, the
	calculated lattice constants and bulk modulus of the observed structures
	are in good agreement with experiments. Also, the theoretical elastic
	constants agree with the measurements within the numerical uncertainties.
	Interestingly, several energetically metastable structures are found
	to be elastically unstable. It is predicted that magnetism has a
	pronounced influence on both the size and sign of some elastic constants,
	and hence on the structural stabilities. For example, while both
	nonmagnetic Fe fcc and hcp structures are metastable phases, ferromagnetic
	Fe fcc and hcp structures are not. These results would help to gain
	insight into the formation of certain artificial thin films and superlattices.},
  keywords = {PACS. 62.20.Dc $\:$- Elasticity, elastic constants. 
	
	 PACS. 71.15.Mb - Density functional theory, local density approximation.
	
	
	 PACS. 75.20.En $\;$- Metals and alloys.},
  language = {english},
  owner = {ohm},
  pdf = {CJP38_0949.pdf},
  timestamp = {2006.05.19},
  url = {http://psroc.phys.ntu.edu.tw/cjp/v38/949/949.htm}
}

@ARTICLE{Gut1965,
  author = {Martin C. Gutzwiller},
  title = {Correlation of {E}lectrons in a {N}arrow \textsl{s} {B}and},
  journal = {Physical Review},
  year = {1965},
  volume = {137},
  pages = {A1726--A1735},
  number = {6A},
  month = Mar,
  abstract = {The ground-state wave function for the electrons in a narrow s band
	is investigated for arbitrary density of electrons and arbitrary
	strength of interaction. {A}n approximation is proposed which limits
	all the calculations to counting certain types of configurations
	and attaching the proper weights. {T}he expectation values of the
	one-particle and two-particle density matrix are computed for the
	ferromagnetic and for the non-ferromagnetic case. {T}he ground-state
	energy is obtained under the assumption that only the intra-atomic
	{C}oulomb interaction is of importance. {F}erromagnetism is found
	to occur if the density of states is large at the band edges rather
	than in the center, and if the intra-atomic {C}oulomb repulsion is
	sufficiently strong. {T}he relation of this approximation to certain
	exact results for one-dimensional models is discussed.},
  doi = {10.1103/PhysRev.137.A1726},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR137_A01726.pdf},
  timestamp = {2006.04.27},
  url = {http://link.aps.org/abstract/PR/v137/pA1726}
}

@ARTICLE{Gut1964,
  author = {Martin C. Gutzwiller},
  title = {Effect of {C}orrelation on the {F}erromagnetism of {T}ransition {M}etals},
  journal = {Physical {R}eview},
  year = {1964},
  volume = {134},
  pages = {A923-A941},
  number = {4A},
  month = May,
  abstract = {The wave function for the electrons is investigated when a set of
	narrow bands (valence states) has its energies within a wide band
	(conduction states). {T}he valence states are linear combinations
	of localized states which are attached to each lattice site. {T}he
	intra-atomic {C}oulomb and exchange integrals for the localized states
	are much larger than the bandwidths of the valence states. {S}ome
	of the narrow bands are neither completely empty nor completely filled.
	{T}he wave function is therefore expected to be correlated, because
	it is disadvantageous for the electrons to crowd into the same lattice
	site, or take up some configuration contrary to {H}und's rule. {T}his
	correlation is important in trasition metals, where it is considered
	to be the cause of ferromagnetism. {T}he correlated wave function
	is obtained by applying to the uncorrelated antisymmetrized product
	of {B}loch functions an operator which provides each configuration
	of localized valence states with an appropriate amplitude and phase
	factor. {T}he procedure is worked out in detail for the case of few
	particles (electrons or holes) in the narrow bands with the help
	of a diagram analysis. {T}he localized orbits of different lattice
	sites do not have to be orthogonal to on another, and the computational
	rules are actually simplified thereby. {T}he example of a twofold
	degenerate band such as the upper part of the 3d band in {N}i is
	treated, and the conditions for the occurrence of ferromagnetism
	are stated in the case of few 3d holes per lattice site.},
  doi = {10.1103/PhysRev.134.A923},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR134_A0923.pdf},
  timestamp = {2006.04.27},
  url = {http://link.aps.org/abstract/PR/v134/pA923}
}

@ARTICLE{Gut1963,
  author = {Martin C. Gutzwiller},
  title = {Effect of {C}orrelation on the {F}erromagnetism of {T}ransition {M}etals},
  journal = {{P}hysical {R}eview {L}etters},
  year = {1963},
  volume = {10},
  pages = {159--162},
  number = {5},
  month = Mar,
  doi = {10.1103/PhysRevLett.10.159},
  language = {english},
  owner = {ohm},
  pdf = {PRL/PRL10_00159.pdf},
  timestamp = {2006.04.27},
  url = {http://link.aps.org/abstract/PRL/v10/p159}
}

@ARTICLE{HL1971,
  author = {Lars Hedin AND Bengt I. Lundqvist},
  title = {Explicit local exchange-correlation potentials},
  journal = {Journal of {P}hysics {C}},
  year = {1971},
  volume = {4},
  pages = {2064},
  number = {14},
  month = oct,
  abstract = {The possibilities of the {H}ohenberg-{K}ohn-{S}ham local density theory
	are explored in view of recent advances in the theory of the interacting
	electron gas. {T}he authors discuss and provide numerical data for
	the effective exchange-correlation potentials mu xc for ground state
	problems and {V}xc for excitation spectra. {T}he potential mu xc(r)
	is written as a factor beta ( rho (r)), which depends on the local
	density rho (r), times the {K}ohn-{S}ham-{G}aspar potential mu x=-e2k{F}/
	pi . {T}he factor beta , which is represented by a simple analytical
	formula, varies between 1 for very high densities and about 1.5 for
	very low densities, where mu xc thus approaches the {S}later approximation.
	{T}he potential {V}xc is given in the form of a table. {T}he explicit
	predictions of the approximate theories are mapped in their linearized
	versions. {T}he theory is also developed for the case when the ion
	cores are treated separately, and the local density approximation
	is applied only to the valence electrons. },
  doi = {10.1088/0022-3719/4/14/022},
  language = {english},
  owner = {ohm},
  pdf = {JPC/JPC4_02064.pdf},
  timestamp = {2005.09.16},
  url = {http://www.iop.org/EJ/abstract/0022-3719/4/14/022}
}

@ARTICLE{HACp1986,
  author = {Bretislav Heinrich and A. S. Arrot and J. F. Cochran and C. Liu and
	K. Myrtle},
  title = {Ferromagnetic resonance in ultrahigh vacuum: {E}ffect of epitaxial
	overlayers on {F}e},
  journal = {Journal of Vacuum Science \& Technology A: Vacuum, Surfaces, and
	Films},
  year = {1986},
  volume = {4},
  pages = {1376-1379},
  number = {3},
  month = May,
  abstract = {The analysis chamber of a Physical Electronics Model 400 Molecular
	Beam Epitaxy system is used to house a ferromagnetic resonance (FMR)
	probe. The sensitivity of FMR on Fe to surface structure and overlays
	of other materials is investigated. Surface sulfides, for example,
	increase the FMR linewidth. The elements Cr, Mn, and Ni grow epitaxially
	in the bcc phase on the (100) surface of Fe. MnO grows epitaxially
	from the Mn overlayers at room temperature. Only Ni has a significant
	effect on the position of the Fe FMR lines. It seems reasonable to
	conclude from FMR line shifts that bcc Ni is ferromagnetic with a
	Curie temperature well above 80 K.},
  doi = {10.1116/1.573574},
  keywords = {PACS: 76.50.+g, 81.60.Bn, 68.55.Jk, 68.55.Bd},
  language = {english},
  owner = {ohm},
  pdf = {JVSTA04_1985_01376.pdf},
  ps = {JVSTA04_1985_01376.ps},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1116/1.573574}
}

@ARTICLE{HACp1987,
  author = {Bretislav Heinrich and A. S. Arrott and J. F. Cochran and S. T. Purcell
	and K. B. Urquhart and K. Myrtle},
  title = {Probing interfaces of ultra thin films on magnetic substrates using
	ferromagnetic resonance at 73.55 {GHz}},
  journal = {{J}ournal of {C}rystal {G}rowth},
  year = {1987},
  volume = {81},
  pages = {562--569},
  number = {1--4},
  month = Feb,
  abstract = {Fe single crystals cut in the (100) orientation are used as substrates
	for the deposition of ferromagnetic and non-ferromagnetic overlayers.
	The properties of the overlayer are investigated by measuring the
	field dependence of the absorption of microwave power, including
	the ferromagnetic resonance (FMR). Measurements of FMR of (100)Fe
	with and without an epitaxial body centered cubic (bbc) Ni overlayer
	are consistent with calculations for a ferromagnetic overlayer with
	0.4 μB per atom of Ni. Epitaxial growth is demonstrated for Ni(bcc)
	on Au and Au on Fe. An epitaxial multilayer has been formed of Au
	on Ni(bcc) on Au on Fe.},
  doi = {10.1016/0022-0248(87)90455-6},
  language = {english},
  owner = {ohm},
  pdf = {JCrystalGrowth/JCrystalGrowth081_1987_562.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/0022-0248(87)90455-6}
}

@ARTICLE{HPDp1988,
  author = {Heinrich, Bretislav and Purcell, S. T. and Dutcher, J. R. and Urquhart,
	K. B. and Cochran, J. F. and Arrott, A. S.},
  title = {Structural and magnetic properties of ultrathin {N}i/{F}e bilayers
	grown epitaxially on {Ag}(001)},
  journal = {{P}hysical {R}eview {B}},
  year = {1988},
  volume = {38},
  pages = {12879--12896},
  number = {18},
  month = Dec,
  abstract = {Ultrathin epitaxial single bilayers of Ni/Fe were grown on Ag(001)
	substrates by means of molecular-beam epitaxy. The growths were monitored
	by reflection high-energy electron diffraction, x-ray photoemission,
	and Auger-electron spectroscopies. The Ni grows in the pure bcc structure
	for the first 3–6 monolayers and then reconstructs into a modified
	bcc phase for larger Ni thicknesses. The magnetic properties of the
	bilayers were studied using ferromagnetic resonance and Brillouin
	light scattering. The pure bcc Ni overlayers have no effect on the
	magnetic properties of the ultrathin Fe layers. Reconstructed Ni
	overlayers create a large in-plane anisotropy with fourfold symmetry
	in the bilayers with the easy axis along the Fe[100] crystallographic
	direction. A theory of exchange-coupled layers is presented. It is
	shown that for strongly exchange-coupled layers the bilayer magnetic
	properties are given by a linear combination of the magnetic properties
	of the individual layers, with coefficients for each layer given
	by the product of the magnetic moment per atom and the number of
	monolayers. The fourfold anisotropy agrees well with the bilayer
	theory and its value can be controlled by the appropriate choice
	of the individual layer thicknesses. These large in-plane anisotropies
	with fourfold symmetry are not common in 3d transition metals and
	it is unique that they are a result of misfit dislocations created
	during the Ni lattice reconstruction.},
  doi = {10.1103/PhysRevB.38.12879},
  keywords = {PACS: 75.70.-i, 75.50.Bb, 68.55.Bd},
  language = {english},
  numpages = {17},
  owner = {ohm},
  pdf = {PRB/PRB38_12879.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRB/v38/p12879}
}

@ARTICLE{HK1964,
  author = {Pierre Hohenberg and Walter Kohn},
  title = {Inhomogeneous electron gas},
  journal = {Physical {R}eview},
  year = {1964},
  volume = {136},
  pages = {B864--B871},
  number = {3B},
  month = nov,
  abstract = {This paper deals with the ground state of an interacting electron
	gas in an external potential v(r). {I}t is proved that there exists
	a universal functional of the density, {F}[n(r)], independent of
	v(r), such that the expression {E}={INTEGRAL} [v(r)n(r)dr]+{F}[n(r)]
	has as its minimum value the correct ground-state energy associated
	with v(r). {T}he functional {F}[n(r)] is then discussed for two situations:
	(1) n(r)=n0+n-tilde(r), n-tilde / n0 << 1, and (2) n(r)= phi (r /
	r0) with phi arbitrary and r0--> [infinity] . {I}n both cases {F}
	can be expressed entirely in terms of the correlation energy and
	linear and higher order electronic polarizabilities of a uniform
	electron gas. {T}his approach also sheds some light on generalized
	{T}homas-{F}ermi methods and their limitations. {S}ome new extensions
	of these methods are presented.},
  doi = {10.1103/PhysRev.136.B864},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR136_B0864.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PR/v136/pB864}
}

@ARTICLE{Hub1964a,
  author = {John Hubbard},
  title = {Electron correlations in narrow energy bands: {II}. {T}he degenerate
	band case},
  journal = {{P}roceedings of the {R}oyal {S}ociety {A}},
  year = {1964},
  volume = {277},
  pages = {237--259},
  language = {english},
  owner = {ohm},
  ps = {ProcRoySocA277_237-259_1964.djvu},
  timestamp = {2006.04.10}
}

@ARTICLE{Hub1964b,
  author = {John Hubbard},
  title = {Electron correlations in narrow energy bands: {III}. {A}n improved
	solution},
  journal = {{P}roceedings of the {R}oyal {S}ociety {A}},
  year = {1964},
  volume = {281},
  pages = { 401--419 },
  language = {english},
  owner = {ohm},
  ps = {ProcRoySocA281_401-419_1964.djvu},
  timestamp = {2006.04.10}
}

@ARTICLE{Hub1963,
  author = {John Hubbard},
  title = {Electron correlations in narrow energy bands},
  journal = {{P}roceedings of the {R}oyal {S}ociety {A}},
  year = {1963},
  volume = {276},
  pages = {238--257},
  language = {english},
  owner = {ohm},
  ps = {ProcRoySocA276_238-257_1963.djvu},
  timestamp = {2006.04.10}
}

@ARTICLE{JAM1975,
  author = {Jepsen, Ove and Andersen, Ole Krogh and Mackintosh, Allan Roy},
  title = {Electronic structure of hcp transition metals},
  journal = {{P}hysical {R}eview {B}},
  year = {1975},
  volume = {12},
  pages = {3084--3103},
  number = {8},
  month = oct,
  abstract = {Using the linear muffin-tin-orbital method described in the previous
	paper, we have calculated the electronic structures of the hcp transition
	metals, Zr, Hf, Ru, and Os. We show how the band structures of these
	metals may be synthesized from the sp and d bands, and illustrate
	the effects of hybridization, relativistic band shifts, and spin-orbit
	coupling by the example of Os. By making use of parameters derived
	from the muffin-tin potential, we discuss trends in the positions
	and widths of the energy bands, especially the d bands, as a function
	of the location in the periodic table. The densities of states of
	the four metals are presented, and the calculated heat capacities
	compared with experiment. The Fermi surfaces of both Ru and Os are
	found to be in excellent quantitative agreement with de Haas-van
	Alphen measurements, indicating that the calculated d-band position
	is misplaced by less than 10 mRy. Very small pieces of Fermi surface,
	which have not yet been observed experimentally, are predicted for
	Os. The limited amount of experimental information available for
	Zr can be fairly satisfactorily interpreted if the calculated d bands
	are raised by about 10-20 mRy relative to the sp bands. This gives
	rise to a Fermi surface which is topologically equivalent to that
	recently found in Ti, and which does not support open orbits when
	the magnetic field is sufficiently great that breakdown is complete.
	It is suggested that the Fermi surface of Hf is probably similar,
	although very little experimental evidence is available for this
	metal. Some comments are made about the calculational method, which
	has proved to be physically transparent, accurate and extremely fast,
	and the adequacy of the standard potential, which has now been successfully
	employed in calculations on the great majority of the transition
	metals.},
  doi = {10.1103/PhysRevB.12.3084},
  numpages = {19},
  owner = {torsten},
  pdf = {PRB/PRB12_03084.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.28},
  url = {http://prola.aps.org/abstract/PRB/v12/i8/p3084_1}
}

@ARTICLE{JG1989,
  author = {Jones, Robert O. and Gunnarsson, Olle},
  title = {The density functional formalism, its applications and prospects},
  journal = {{R}eview of {M}odern {P}hysics},
  year = {1989},
  volume = {61},
  pages = {689--746},
  number = {3},
  month = jul,
  abstract = {A scheme that reduces the calculations of ground-state properties
	of systems of interacting particles exactly to the solution of single-particle
	Hartree-type equations has obvious advantages. It is not surprising,
	then, that the density functional formalism, which provides a way
	of doing this, has received much attention in the past two decades.
	The quality of the energy surfaces calculated using a simple local-density
	approximation for exchange and correlation exceeds by far the original
	expectations. In this work, the authors survey the formalism and
	some of its applications (in particular to atoms and small molecules)
	and discuss the reasons for the successes and failures of the local-density
	approximation and some of its modifications.},
  doi = {10.1103/RevModPhys.61.689},
  numpages = {57},
  owner = {torsten},
  pdf = {RevModPhys/RevModPhys61_00689.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.30},
  url = {http://link.aps.org/abstract/RMP/v61/p689}
}

@ARTICLE{Kan1963,
  author = {Junjiro Kanamori},
  title = {Electron {C}orrelation and {F}erromagnetism of {T}ransition {M}etals},
  journal = {{P}rogress of {T}heoretical {P}hysics},
  year = {1963},
  volume = {30},
  pages = {275--289},
  number = {3},
  month = sep,
  abstract = {The electron correlation in a narrow energy band is discussed taking
	into account the multiple scattering between two electrons. {T}he
	discussion is an adaptation of {B}rueckner's theory of nuclear matter.
	{I}t is assumed that electrons interact with each other only when
	they are at the same atom. {T}he effect of the electron correlation
	depends in an intricate way on the energy spectrum of a given band.
	{A}n approximate expression of the effective magnitude of the interaction
	is derived. {T}he condition for the occurrence of ferromagnetism
	is investigated for various types of bands. {T}he ferromagnetism
	of {N}i and the paramagnetism of {P}d can be understood reasonably
	through the present approach. {T}he degeneracy of the d bands is
	taken into account in the discussion of these metals.},
  doi = {10.1143/PTP.30.275},
  language = {english},
  owner = {ohm},
  pdf = {PTP30_275.pdf},
  timestamp = {2006.05.02},
  url = {http://ptp.ipap.jp/link?PTP/30/275/}
}

@ARTICLE{KM1984,
  author = {Hellmut Keiter and Giuseppe Morandi},
  title = {Thermodynamic perturbation theory for systems with strong local correlations},
  journal = {{P}hysics {R}eports},
  year = {1984},
  volume = {109},
  pages = {227--308},
  number = {5},
  month = {July},
  abstract = {Unconventional, direct thermodynamic perturbation techniques are required,
	if the unperturbed Hamiltonian contains already many-body correlations,
	or if operators are involved, which do not obey boson- or fermion-communication
	relations. These techniques and their various versions (e.g. resolvent
	methods, regularized Goldstone diagrams, Brillouin-Wigner type expansions)
	are treated from a unifying point of view. Applications to magnetic
	impurities, local two-level systems, intermediate valence models
	are given. The derivation of dispersion relations is reviewed as
	well as the intermediate state analysis of Feynman diagrams in terms
	of Goldstone diagrams at finite temperatures.},
  doi = {10.1016/0370-1573(84)90039-5},
  owner = {torsten},
  pdf = {PhysRep109_227-308_1984.pdf},
  timestamp = {2006.06.27},
  url = {http://dx.doi.org/10.1016/0370-1573(84)90039-5}
}

@ARTICLE{KE1999,
  author = {Koepernik, Klaus and Eschrig, Helmut},
  title = {Full-potential nonorthogonal local-orbital minimum-basis band-structure
	scheme},
  journal = {{P}hysical {R}eview {B}},
  year = {1999},
  volume = {59},
  pages = {1743--1757},
  number = {3},
  month = Jan,
  abstract = {We present a full-potential band-structure scheme based on the linear
	combination of overlapping nonorthogonal orbitals. The crystal potential
	and density are represented as a lattice sum of local overlapping
	nonspherical contributions. The decomposition of the exchange and
	correlation potential into local parts is done using a technique
	of partitioning of unity resulting in local shape functions, which
	add exactly to unity in the whole crystal and which are very easily
	treated numerically. The method is all-electron, which means that
	core relaxation is properly taken into account. Nevertheless, the
	eigenvalue problem is reduced to the dimension of a minimum valence
	orbital basis only. Calculations on sp and transition metals give
	results comparable to other full-potential methods. The calculations
	on the diamond lattice demonstrate the applicability of our approach
	to open structures. The consequent local description of all real-space
	functions allows the treatment of substitutional disordered materials.},
  doi = {10.1103/PhysRevB.59.1743},
  keywords = {PACS: 71.15.Fv, 71.15.Mb, 71.15.Nc},
  language = {english},
  numpages = {14},
  owner = {ohm},
  pdf = {PRB/PRB59_01743.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.06.19},
  url = {http://link.aps.org/abstract/PRB/v59/p1743}
}

@ARTICLE{KS1965,
  author = {Walter Kohn and Lu Jeu Sham},
  title = {Self-consistent equations including exchange and correlation effects},
  journal = {Physical {R}eview},
  year = {1965},
  volume = {140},
  pages = {A1133--A1138},
  number = {4A},
  month = nov,
  abstract = {From a theory of {H}ohenberg and {K}ohn, approximation methods for
	treating an inhomogeneous system of interacting electrons are developed.
	{T}hese methods are exact for systems of slowly varying or high density.
	{F}or the ground state, they lead to self-consistent equations analogous
	to the {H}artree and {H}artree-{F}ock equations, respectively. {I}n
	these equations the exchange and correlation portions of the chemical
	potential of a uniform electron gas appear as additional effective
	potentials. ({T}he exchange portion of our effective potential differs
	from that due to {S}later by a factor of 2 / 3.) {E}lectronic systems
	at finite temperatures and in magnetic fields are also treated by
	similar methods. {A}n appendix deals with a further correction for
	systems with short-wavelength density oscillations.},
  doi = {10.1103/PhysRev.140.A1133 10.1103/PhysRev.140.A1133},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR140_A1133.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PR/v140/pA1133}
}

@ARTICLE{Kon1964,
  author = {Jun Kondo},
  title = {Resistance {M}inimum in {D}ilute {M}agnetic {A}lloys},
  journal = {{P}rogress of {T}heoretical {P}hysics},
  year = {1964},
  volume = {32},
  pages = {37--49},
  number = {1},
  month = mar,
  abstract = {Based on the s-d interaction model for dilute magnetic alloys we have
	calculated the scattering probability of the conduction electrons
	to the second Born approximation. Because of the dynamical character
	of the localized spin system, the Pauli principle should be taken
	into account in the intermediate states of the second order terms.
	Thus the effect of the Fermi sphere is involved in the scattering
	probability and gives rise to a singular term in the resistivity
	which involves c log T as a factor, where c is the concentration
	of impurity atoms. When combined with the lattice resistivity, this
	gives rise to a resistance minimum, provided the s-d exchange integral
	J is negative. The temperature at which the minimum ccurs is proportional
	to c1/5 and the depth of the minimum to c, as is observed. The predicted
	log T dependence is tested with available experiments and is confirmed.
	The value of J to have fit with experiments is about -0.2 ev, which
	is of reasonable magnitude. Our conclusion is that J should be negative
	in alloys which show a resistance minimum. It is argued that the
	resistance minimum is a result of the sharp Fermi surface.},
  doi = {10.1143/PTP.32.37},
  language = {english},
  owner = {ohm},
  pdf = {PTP32_037.pdf},
  timestamp = {2006.05.09},
  url = {http://ptp.ipap.jp/link?PTP/32/37/}
}

@ARTICLE{LA1986,
  author = {Lambrecht, Walter R. L. and Andersen, Ole Krogh},
  title = {Minimal basis sets in the linear muffin-tin orbital method: {A}pplication
	to the diamond-structure crystals {C}, {Si}, and {Ge}},
  journal = {{P}hysical {R}eview {B}},
  year = {1986},
  volume = {34},
  pages = {2439--2449},
  number = {4},
  month = aug,
  abstract = {It is shown that in the muffin-tin orbital (MTO) method a minimal
	basis set suffices for the calculation of one-electron energies and
	wave functions, provided that the higher partial waves, φl(E,r),
	are included by means of Löwdin downfolding. In terms of a recently
	proposed transformation theory the downfolding can be considered
	as the transformation to a set of MTO’s whose tails can be continuously
	and differentiably augmented by the higher partial waves. Simplified
	linearization schemes provide Hamiltonian and overlap matrices in
	terms of energy-independent, linear muffin-tin orbitals (LMTO’s).
	By application to band-structure and total-energy calculations for
	C, Si, and Ge it is demonstrated that a minimal basis set consisting
	of only one s and three p atom-centered LMTO’s plus one s LMTO at
	the tetrahedral, interstitial site (that is, a total of five orbitals
	per atom) is sufficient for the calculation of ground-state properties.},
  doi = {10.1103/PhysRevB.34.2439},
  keywords = {PACS: 71.10.+x, 71.25.Cx, 71.25.Rk},
  numpages = {10},
  owner = {torsten},
  pdf = {PRB/PRB34_02439.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.31},
  url = {http://link.aps.org/abstract/PRB/v34/p2439}
}

@ARTICLE{LHFp1993,
  author = {Lee, J. I. and Hong, Soon C. and Freeman, A. J. and Fu, C. L.},
  title = {Enhanced surface and interface magnetism of bcc {Ni} overlayers on
	{Fe}(001)},
  journal = {{P}hysical {R}eview {B}},
  year = {1993},
  volume = {47},
  pages = {810--817},
  number = {2},
  month = jan,
  abstract = {The surface and interface magnetism of metastable bcc Ni as an overlayer
	on Fe(001)—originally synthesized by Heinrich et al.$mdash—is investigated
	using the highly precise total-energy full-potential linearized augmented
	plane-wave method. Two systems—a monolayer (1Ni/Fe) and a bilayer
	(2Ni/Fe) coverage on Fe(001)—are investigated and compared. The Ni-Fe
	interlayer spacings are found to be relaxed downward by 2.5% and
	4% for 1Ni/Fe and 2Ni/Fe, respectively. The effect of the Ni-Fe hybridization
	on the electronic and magnetic properties is examined. In both overlayer
	systems the magnetic moments at the interface Ni and Fe sites are
	enhanced relative to their corresponding bulk values. The magnetic
	moment (0.69μB) of the surface Ni atom of 2Ni/Fe is found to be reduced
	from that (0.86μB) of the surface Ni atom on 1Ni/Fe. A manifestation
	of the moment enhancement at the interface Fe site is a positive
	contribution to the hyperfine field from the valence electrons.},
  doi = {10.1103/PhysRevB.47.810},
  keywords = {PACS: 75.70.-i},
  language = {english},
  numpages = {7},
  owner = {ohm},
  pdf = {PRB/PRB47_00810.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRB/v47/p810}
}

@ARTICLE{Lev1979,
  author = {Mel Levy},
  title = {Universal {V}ariational {F}unctionals of {E}lectron {D}ensities,
	{F}irst-{O}rder {D}ensity {M}atrices, and {N}atural {S}pin-{O}rbitals
	and {S}olution of the v-{R}epresentability {P}roblem},
  journal = {{P}roc. {N}at. {A}cad. {S}ci. {USA}},
  year = {1979},
  volume = {76},
  pages = {6062--6065},
  number = {12},
  month = dec,
  abstract = {Universal variational functionals of densities, first-order density
	matrices, and natural spin-orbitals are explicitly displayed for
	variational calculations of ground states of interacting electrons
	in atoms, molecules, and solids. {I}n all cases, the functionals
	search for constrained minima. {I}n particular, following {P}ercus
	{Q}[rho ] = min < {P}si rho|\hat{{T}} + \hat{{V}}ee|{P}si rho> is
	identified as the universal functional of {H}ohenberg and {K}ohn
	for the sum of the kinetic and electron-electron repulsion energies
	of an {N}-representable trial electron density rho . {Q}[rho ] searches
	all antisymmetric wavefunctions {P}si rho which yield the fixed rho
	. {Q}[rho ] then delivers that expectation value which is a minimum.
	{S}imilarly, {W}[gamma ] = min < {P}si gamma|\hat{{V}}ee|{P}si gamma>
	is shown to be the universal functional for the electron-electron
	repulsion energy of an {N}-representable trial first-order density
	matrix gamma , where the actual external potential may be nonlocal
	as well as local. {T}hese universal functions do not require that
	a trial function for a variational calculation be associated with
	a ground state of some external potential. {T}hus, the v-representability
	problem, which is especially severe for trial first-order density
	matrices, has been solved. {U}niversal variational functionals in
	{H}artree-{F}ock and other restricted wavefunction theories are also
	presented. {F}inally, natural spin-orbital functional theory is compared
	with traditional orbital formulations in density functional theory.},
  keywords = {Hohenberg-Kohn, Hartree-Fock, geminals, exchange-correlation},
  language = {english},
  owner = {ohm},
  pdf = {PNAS/PNAS76_6062.pdf},
  timestamp = {2005.09.16},
  url = {http://www.pnas.org/cgi/content/abstract/76/12/6062}
}

@ARTICLE{LSTp1999,
  author = {Lin, Tao and Schwickert, M. M. and Tomaz, M. A. and Chen, H. and
	Harp, G. R.},
  title = {X-ray magnetic-circular-dichroism study of {Ni}/{Fe} (001) multilayers},
  journal = {{P}hysical {R}eview {B}},
  year = {1999},
  volume = {59},
  pages = {13911--13918},
  number = {21},
  month = {Jun},
  abstract = {The structure and magnetic properties of Fe/Ni(001) multilayers are
	studied using x-ray diffraction, magneto-optical Kerr effect magnetometry,
	and x-ray magnetic circular dichroism. Multilayers are deposited
	with constant Fe layers (12 Å) and wedged Ni layers (0–30 Å), repeated
	20 times, to explore the magnetic moment and the structure dependence
	upon thickness of Ni (tNi). Up to tNi≈16 Å (11 ML), both the Fe and
	the Ni have a bct structure, similar to the bulk structure of bcc
	Fe. The magnetic moments of Ni in the bct region are nearly constant
	at 0.85μB for a Ni thickness tNi in the range 3 Å<tNi<16 Å. This
	represents a significant enhancement over the moment in bulk fcc
	Ni (0.59μB). The Fe/Ni multilayer undergoes a crystalline phase transition
	between 16 Å<tNi<23 Å, beyond which both the Fe and Ni have an fct
	structure. In the fct region, the Ni magnetic moment is close to
	its bulk value and the Fe magnetic moment drops to 1.5μB, which is
	∼70% of its bulk value. The crystalline phase transition is also
	accompanied by a rotation of the magnetic easy axis by 45° in the
	plane of the film.},
  doi = {10.1103/PhysRevB.59.13911},
  language = {english},
  numpages = {7},
  owner = {ohm},
  pdf = {PRB/PRB59_13911.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRB/v59/p13911}
}

@ARTICLE{MQ1999,
  author = {Roland Mattheis and Gisela Quednau},
  title = {Determination of the anisotropy field strength in ultra-thin magnetic
	films using longitudinal {MOKE} and a rotating field: the {ROTMOKE}
	method},
  journal = {{J}ournal of {M}agnetism and {M}agnetic {M}aterials},
  year = {1999},
  volume = {205},
  pages = {143--150},
  number = {2--3},
  month = Nov,
  abstract = {A new method for the determination of anisotropy field strength in
	specimens with uniaxial anisotropy is described. Longitudinal MOKE
	is used in combination with a rotating magnetic field. Due to sufficient
	large field strength, a Stoner–Wohlfarth-like magnetisation reversal
	process can be realised. By correcting higher-order MOKE terms, a
	highly accurate calculation of Hk is demonstrated on different Fe,
	NiFe and Co ultra thin films.},
  doi = {10.1016/S0304-8853(99)00526-0},
  keywords = {Magneto-optical measurements; Anisotropy – uniaxial; Torque measurements;
	Second-order magneto-optical effect; Quadratic magneto-optical effect;
	QMOKE; Voigt effect; Ultrathin film},
  language = {english},
  owner = {ohm},
  pdf = {JMMM/JMMM205_1999_00143.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/S0304-8853(99)00526-0}
}

@ARTICLE{MW1982,
  author = {Leonard F. Mattheiss and Werner Weber},
  title = {Electronic structure of cubic {{V}$_3${S}i} and {{N}b$_3${S}i}},
  journal = {Physical {R}eview {B} ({C}ondensed {M}atter)},
  year = {1982},
  volume = {25},
  pages = {2248--2269},
  number = {4},
  month = feb,
  abstract = {The results of self-consistent augmented-plane-wave energy-band calculations
	by {K}lein et al. for {V}$_3${S}i and {N}b$_3${S}n have been fitted
	using a nonorthogonal-tight-binding ({NTB}) scheme. {T}he {NTB} basis
	includes {B}loch sums formed from $s$,$p$,$d$ orbitals at the {V}({N}b)
	sites and s,p orbitals at the {S}i({S}n) sites, respectively. {T}he
	resulting 62 x 62 secular equation contains approximately 80-100
	independent two-center energy and overlap parameters which have been
	determined by means of a nonlinear-least-squares fitting procedure.
	{H}ighly accurate fits have been obtained for the lowest 40 bands
	at 35 $k$ points in the {B}rillouin zone; the corresponding rms errors
	are about 3 and 2 m{R}y for {V}$_3${S}i and {N}b$_3${S}n, respectively.
	{T}his accuracy has allowed the calculation of high-resolution density-of-states
	curves {N}({E}), including a decomposition into angular momentum
	and orbital components {N} $\alpha$ ({E}). {T}he results of these
	studies provide new and important insight regarding the orbital character
	of the extremely flat $\{G}amma_{12}$ bands which lie near {EF} in
	both {V}$_3${S}i and {N}b$_3${S}n. {T}hey show that the principal
	orbital component of these subbands consists of transition-metal
	({TM}) d( $\sigma$ ) orbitals with ($3z^2-r^2$) symmetry along the
	{TM}-atom chains parallel to the $z$ axis. {I}t is also shown that
	the small dispersion of the $\{G}amma_{12}$ subbands (?2 m{R}y) over
	a large fraction of the {B}rillouin zone is due primarily to strong
	interchain hybridization with {TM} d( $\pi$ )- and p( $\pi$ )-type
	orbitals. {W}e believe that this novel combination of strong but
	compensating d-d and p-d interactions within the $\{G}amma_{12}$
	subbands near {EF} is the principal source of the anomalous electronic
	properties which have long been associated with both {V}$_3${S}i
	and {N}b$_3${S}n.},
  doi = {10.1103/PhysRevB.25.2248},
  keywords = {BAND THEORY; ELECTRONIC STRUCTURE; ENERGY - LEVEL DENSITY},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB25_02248.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PRB/v25/p2248}
}

@ARTICLE{Mor1986,
  author = {Victor L. Moruzzi},
  title = {Singular {V}olume {D}ependence of {T}ransition-{M}etal {M}agnetism},
  journal = {Physical Review Letters},
  year = {1986},
  volume = {57},
  pages = {2211–2214},
  number = {17},
  month = Oct,
  abstract = {The transition from nonmagnetic to magnetic behavior in transition-metal
	ferromagnets is studied by analysis of all possible volume evolutions
	of the variation of the total energy with magnetic moment. In contrast
	to a large body of previous work, magnetic transitions are shown
	to be necessarily singular, and usually multivalued and discontinuous.
	Self-consistent spin-polarized energy-band calculations for bcc nickel,
	fcc cobalt, bcc vanadium, and fcc iron are presented as examples
	supporting and illustrating the general conclusions.},
  doi = {10.1103/PhysRevLett.57.2211},
  keywords = {75.10.Lp, 75.30.Kz, 75.40.Bw},
  language = {english},
  owner = {ohm},
  pdf = {PRL/PRL57_02211.pdf},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRL/v57/p2211}
}

@ARTICLE{MM1988,
  author = {Moruzzi, Victor L. and Marcus, Paul M.},
  title = {Magnetism in bcc 3d transition metals: {O}nset and approach to the
	{H}und's-rule limit},
  journal = {Physical Review B},
  year = {1988},
  volume = {38},
  pages = {1613--1620},
  number = {3},
  month = Jul,
  abstract = {First-principles total-energy band theory is used to study the onset
	and the large-volume limit of magnetic behavior for the 3d transition
	metals constrained to the bcc crystal structure. It is found that
	all 3d transition metals from Sc to Ni undergo second-order, first-order,
	or composite second- and first-order transitions from nonmagnetic
	to magnetic behavior with increasing volume. An approximate Stoner
	analysis is used to interpret the structure of the transitions. As
	a function of volume, calculated magnetic moments generally increase
	and tend toward the free-atom limit in the local-spin-density approximation,
	and are consistent with Hund’s rule. Calculated d-band widths vary
	as r-5 over a wide range of volumes, in agreement with Heine’s theoretical
	results.},
  doi = {10.1103/PhysRevB.38.1613},
  keywords = {71.45.Nt, 75.30.Kz, 75.50.Cc},
  language = {english},
  numpages = {7},
  owner = {ohm},
  pdf = {PRB/PRB38_01613.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRB/v38/p1613}
}

@ARTICLE{MMSp1986,
  author = {Moruzzi, Victor L. and Marcus, Paul M. and Schwarz, Karlheinz and
	Mohn, Peter},
  title = {Ferromagnetic phases of bcc and fcc {Fe}, {Co}, and {Ni}},
  journal = {Physical Review B},
  year = {1986},
  volume = {34},
  pages = {1784--1791},
  number = {3},
  month = Aug,
  abstract = {The different magnetic phases of the bcc and fcc forms of Fe, Co,
	and Ni are studied by analyzing total-energy surfaces in moment-volume
	parameter space obtained from energy-band calculations using a local-spin-density
	approximation. The surfaces, found by calculating total energies
	while holding both the magnetic moment and the volume fixed, offer
	a method for studying phases that are inaccessible to traditional
	self-consistent-field methods. We find that magnetic moments can
	change discontinuously with volume and that there are ranges of coexistence
	for different magnetic phases. In the multiphase ranges, these elemental
	magnetic systems exhibit metamagnetic behavior. Our results show
	that bcc Co is ferromagnetic for all volumes studied, that fcc Co
	can exist in either a nonmagnetic or a ferromagnetic phase, and that
	there is a range of volumes where the two phases can coexist. For
	Fe, the bcc form exhibits a stable ferromagnetic phase for all volumes
	considered, but the fcc form can exist in any of three phases—a nonmagnetic,
	a low-spin, and a high-spin phase—all of which can coexist in limited
	volume ranges. For Ni, the fcc form exhibits a stable ferromagnetic
	phase, but the bcc form can exist in both a nonmagnetic and, at expanded
	volumes, a ferromagnetic phase. The volume ranges for all magnetic
	phases are clearly identified for the bcc and fcc forms of Fe, Co,
	and Ni.},
  doi = {10.1103/PhysRevB.34.1784},
  language = {english},
  numpages = {7},
  owner = {ohm},
  pdf = {PRB/PRB34_01784.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRB/v34/p1784}
}

@ARTICLE{OWUp2002,
  author = {Ohm, Torsten and Weiser, Stefan and Umstätter, Richard and Weber,Werner
	and Bünemann, Jörg},
  title = {Total {E}nergy {S}tudies for {F}erromagnetic {N}ickel: {W}hat {I}s
	the {O}ptimum {C}ombination of the {M}ulti-{B}and {G}utzwiller {M}ethod
	and {D}ensity {F}unctional {T}heory?},
  journal = {{ J}ournal of {L}ow {T}emperature {P}hysics},
  year = {2002},
  volume = {126},
  pages = {1081--1089},
  number = {3--4},
  month = feb,
  abstract = {The multi-band Gutzwiller method, combined with calculations based
	on density functional theory, is employed to study total energy curves
	of the ferromagnetic ground state of Ni. A new method is presented
	which allows flow of charge between d and s, p type orbitals in an
	approximate way. Further it is emphasized that the missing repulsive
	contribution to the total energy at large magnetic moments can be
	estimated from an analysis of specific DFT calculations.},
  doi = {10.1023/A:1013863129039},
  owner = {torsten},
  pdf = {JLTP/JLTP126_01081.pdf},
  timestamp = {2006.07.20},
  url = {http://dx.doi.org/10.1023/A:1013863129039}
}

@ARTICLE{PW1992,
  author = {John P. Perdew and Yue Wang},
  title = {Accurate and simple analytic representation of the electron-gas correlation
	energy},
  journal = {Physical {R}eview {B} ({C}ondensed {M}atter)},
  year = {1992},
  volume = {45},
  pages = {13244--13249},
  number = {23},
  month = jun,
  abstract = {We propose a simple analytic representation of the correlation energy
	epsilon c for a uniform electron gas, as a function of density parameter
	rs and relative spin polarization zeta . {W}ithin the random-phase
	approximation ({RPA}), this representation allows for the r-3/4s
	behavior as rs--> [infinity] . {C}lose agreement with numerical {RPA}
	values for epsilon c(rs,0), epsilon c(rs,1), and the spin stiffness
	alpha c(rs)= [partial] 2 epsilon c(rs, zeta =0)/ delta zeta 2, and
	recovery of the correct rslnrs term for rs-->0, indicate the appropriateness
	of the chosen analytic form. {B}eyond {RPA}, different parameters
	for the same analytic form are found by fitting to the {G}reen's-function
	{M}onte {C}arlo data of {C}eperley and {A}lder [{P}hys. {R}ev. {L}ett.
	45, 566 (1980)], taking into account data uncertainties that have
	been ignored in earlier fits by {V}osko, {W}ilk, and {N}usair ({VWN})
	[{C}an. {J}. {P}hys. 58, 1200 (1980)] or by {P}erdew and {Z}unger
	({PZ}) [{P}hys. {R}ev. {B} 23, 5048 (1981)]. {W}hile we confirm the
	practical accuracy of the {VWN} and {PZ} representations, we eliminate
	some minor problems with these forms. {W}e study the zeta -dependent
	coefficients in the high- and low-density expansions, and the rs-dependent
	spin susceptibility. {W}e also present a conjecture for the exact
	low-density limit. {T}he correlation potential ? sigma c(rs, zeta
	) is evaluated for use in self-consistent density-functional calculations.},
  doi = {10.1103/PhysRevB.45.13244},
  keywords = {ELECTRON GAS; RANDOM PHASE APPROXIMATION; COLLECTIVE EXCITATIONS;
	BINDING ENERGY; METALS; ALLOYS; DENSITY FUNCTIONAL METHOD},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB45_13244.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PRB/v45/p13244}
}

@PHDTHESIS{Per1999,
  author = {Clas Person},
  title = {Electronic {S}tructure of {I}ntrinsic and {D}oped {S}ilicon {C}arbide
	and {S}ilicon},
  school = {Linköpings Universitet},
  year = {1999},
  abstract = {Silicon (Si) is the most exploited material within the semiconductor
	device technology, mainly due to its relatively good electron and
	hole mobilities and the simplicity to fabricate and process the material.
	Silicon carbide (SiC) has, however, a wider band gap, a higher breakdown
	electric field strength, and a higher thermal conductivity, which
	makes SiC one of the most promising materials for high-power devices.
	The high saturation drift velocity in SiC is a quality suitable also
	for high-frequency applications and, furthermore, the chemical and
	radiant inertness makes SiC-based devices capable to operate in harsh
	environments. Although the increasing interest in SiC has resulted
	in comprehensive investigations of the material, there is still deficient
	knowledge about the basic electronic properties of SiC.
	
	The present thesis comprises a theoretical study on the electronic
	structure of the cubic polytype 3C and the hexagonal polytypes 2H,
	4H, and 6H of SiC. Detailed investigations of the energy bands near
	the fundamental energy band gap, important for the understanding
	of the electronic transport properties in these materials, have been
	performed and special attention has been paid on the non-parabolicities
	of the energy bands. Throughout the work, comparisons have been made
	with cubic Si and in some case with the corresponding hexagonal Si
	polytypes.
	
	The electronic band structure of the intrinsic materials have been
	calculated employing a relativistic and full-potential linearized
	augmented plane wave (LAPW) method based upon the local density approximation
	(LDA) to the density functional theory (DFT). Geometric optimizations
	of the crystals result in lattice constants confirming the experimental
	values and it is demonstrated that even small variations in the atomic
	positions have a strong impact on the crystal-field splitting of
	the uppermost valence bands in the hexagonal polytypes. For the time
	being there is a lack of experimental information about the electronic
	band structure in SiC and the values of the effective hole masses
	have not been experimentally established. The effective hole masses
	in Si and effective electron masses in both SiC and Si calculated
	here agree well with available measured values. It is shown that
	inclusion of the spin-orbit interaction is crucial for accurately
	calculating the effective hole masses. The uppermost valence bands
	in all materials considered here have been found to be non-parabolic
	in the vicinity of the /Gamma/ point and, furthermore, the lowest
	conduction band in 6H-SiC has a very flat and non-parabolic double-well
	structure. Electron and hole scatterings, caused by the existence
	of interaction potentials or through optical or thermal excitations,
	are dependent on the selection rules for the transitions and on the
	density-of-states of the energy bands. This thesis provides a symmetry
	classification of the electron states, both for the single and the
	double space groups. Moreover, the density-of-states have also been
	determined. Using the calculated density-of-states, the temperature
	dependent carrier concentration has been worked out for 4H-SiC:Al
	and 6H-SiC:N.
	
	In order to properly design semiconductor devices, the effects on
	the electronic band structure due to doping or plasma-injection have
	to be known. In this thesis calculations of the self-energy for the
	lowest conduction-band states and for the uppermost valence-band
	states in n-type, p-type, and plasma-induced SiC and Si have been
	performed, utilizing the zero-temperature Green's function formalism.
	The correlation interaction was described within the random phase
	approximation (RPA) with a local-field correction of Hubbard, and
	the electron-impurity ion interaction was obtained from second-order
	perturbation theory. The resulting energy shifts of the fundamental
	band gap and of the optical band gap have been worked out. It is
	found that the non-parabolicities of the energy bands strongly influence
	the calculated band- gap narrowing for high dopant concentration.
	Furthermore, the distortions of the conduction band in n-type SiC
	and Si have been investigated and the modified effective electron
	masses are presented. By comparing the calculated total energies
	of the localized donor electrons in the non-metallic phase and of
	the electron gas in the metallic phase the critical concentrations
	for the metal non-metal transition (the Mott transition) have been
	estimated for n-type SiC and Si.},
  owner = {ohm},
  timestamp = {2006.06.29},
  url = {http://www.bibl.liu.se/liupubl/disp/disp99/tek568s.htm}
}

@ARTICLE{Pet1970,
  author = {D. G. Pettifor},
  title = {Theory of the crystal structures of transition metals},
  journal = {{J}ournal of {P}hysics {C}: {S}olid {S}tate {P}hysics},
  year = {1970},
  volume = {3},
  pages = {367--377},
  number = {2},
  month = feb,
  abstract = {The structure trend that is observed across the transition metal series
	as the number of valence electrons N increases 3 to 11 is explained
	quantitatively. The difference in the total one-electron band structure
	energy between the close-packed structures face-centred cubic and
	hexagonal close-packed is shown to determine completely which structure
	is favoured, whereas an additional hard-core repulsive contribution
	is necessary when comparing the body-centred cubic and close-packed
	structures at the noble metal end of the series. The calculations
	were performed assuming a model transition metal characterized by
	only the two d-resonance parameters epsilon d and Gamma , from which
	the densities of states for the three structures were obtained using
	energy levels calculated by the hybrid nearly- free-electron tight-binding
	scheme of Pettifor.},
  doi = {10.1088/0022-3719/3/2/018},
  owner = {torsten},
  pdf = {JPhysC/JPhysC03_00367.pdf},
  timestamp = {2006.07.28},
  url = {http://www.iop.org/EJ/abstract/0022-3719/3/2/018}
}

@ARTICLE{RVRp1994,
  author = {Rader, O. and Vescovo, E. and Redinger, J. and Bl\"ugel, S. and Carbone,
	C. and Eberhardt, W. and Gudat, W.},
  title = {Fe-induced magnetization of {Pd}: {T}he role of modified {Pd} surface
	states},
  journal = {Physical Review Letters},
  year = {1994},
  volume = {72},
  pages = {2247--2250},
  number = {14},
  month = {Apr},
  abstract = {The magnetic properties of Fe-Pd multilayers are strongly affected
	by the high magnetic polarization of Pd. The origin of the magnetization
	of Pd in contact with Fe is examined. We found that a surface Pd(100)
	photoemission structure persists upon preparation of 1 and 2 monolayers
	Fe. Comparison with an ab initio calculation identifies this structure
	as a state distributed equally between the Fe and the adjacent Pd
	layer. Spin analysis of the photoelectrons shows that this state
	is magnetic, and the calculation reveals that it contributes to the
	large Pd moment at the interface of 0.32μB.},
  doi = {10.1103/PhysRevLett.72.2247},
  keywords = {PACS: 73.20.Dx, 75.70.Cn, 79.60.Jv},
  language = {english},
  numpages = {3},
  owner = {ohm},
  pdf = {PRL/PRL72_02247.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRL/v72/p2247}
}

@ARTICLE{RC1973,
  author = {Rajagopal, A. K. and Callaway, J.},
  title = {Inhomogeneous {E}lectron {G}as},
  year = {1973},
  volume = {7},
  pages = {1912--1919},
  number = {5},
  month = mar,
  abstract = {This work is a generalization of the Hohenberg—Kohn—Sham theory of
	the inhomogeneous electron gas, with emphasis on spin effects. An
	argument based on quantum electrodynamics is used to express the
	ground-state energy of a system of interacting electrons as a functional
	of the current density. Expressions are derived for coefficients
	appearing in an expansion of the correlation functional in terms
	of the linear-response functions of the homogeneous system, for a
	gas of almost constant four-current density. The current density
	contains a spin-dependent term which leads, in the nonrelativistic
	limit, to a local potential which is also spin dependent. This potential
	is applied to the problems of spin splitting of energy bands in ferromagnets
	and spin-density-wave antiferromagnets. The relations between the
	present approach, that of Slater, and the collective electron theory
	of ferromagnetism of Stoner are described.},
  doi = {10.1103/PhysRevB.7.1912},
  numpages = {7},
  owner = {torsten},
  pdf = {PRB/PRB07_01912.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.08.05},
  url = {http://link.aps.org/abstract/PRB/v7/p1912}
}

@ARTICLE{RF1975,
  author = {J. Rath AND Arthur J. Freeman},
  title = {Generalized magnetic susceptibilities in metals: {{A}pplication}
	of the analytic tetrahedron linear energy method to {${S}c$}},
  journal = {{P}hysical {R}eview {B} ({S}olid {S}tate)},
  year = {1975},
  volume = {11},
  pages = {2109--2117},
  number = {6},
  month = mar,
  abstract = {A detailed study of the generalized susceptibility chi (q-->) of {S}c
	metal determined from an accurate augmented-plane-wave method calculation
	of its energy-band structure is presented. {T}he calculations were
	done by means of a computational scheme for chi (q-->) derived as
	an extension of the work of {J}epsen and {A}ndersen and {L}ehmann
	and {T}aut on the density-of-states problem. {T}he procedure yields
	simple analytic expressions for the chi (q-->) integral inside a
	tetrahedral microzone of the {B}rillouin zone which depends only
	on the volume of the tetrahedron and the differences of the energies
	at its corners. {C}onstant-matrix-element results have been obtained
	for {S}c which show very good agreement with the results of {L}iu,
	{G}upta, and {S}inha (but with one less peak) and exhibit a first
	maximum in chi (q-->) at (0, 0, 0.31)2 pi / c [vs (0, 0, 0.35)2 pi
	/ c obtained by {L}iu et al.] which relates very well to dilute rare-earth
	alloy magnetic ordering at q-->m=(0, 0, 0.28)2 pi / c and to the
	kink in the {LA}-phonon dispersion curve at (0, 0, 0.27)2 pi / c.},
  doi = {10.1103/PhysRevB.11.2109},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB11_02109.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PRB/v11/p2109}
}

@ARTICLE{RF1969,
  author = {Reck, R. A. and Fry, D. L.},
  title = {Orbital and {S}pin {M}agnetization in {Fe}-{Co}, {Fe}-{Ni}, and {Ni}-{Co}},
  journal = {{P}hysical {R}eview},
  year = {1969},
  volume = {184},
  pages = {492--495},
  number = {2},
  month = Aug,
  abstract = {The effective electronic orbital contribution M0 and the effective
	electronic spin contribution Ms to the spontaneous magnetization
	Mt for binary alloys of Fe, Co, and Ni are determined from Scott's
	measured magnetomechanical g′-factors using the relations M0/Mt=(2-g′)/g′
	and Ms/Mt=2(g′-1)/g′ where g′ is assumed to be independent of the
	strength of the magnetic field and the temperature. It is believed
	that M0/Mt has several-fold greater accuracy when determined from
	the g′ factors than when determined from ferromagnetic-resonance
	g factors. In terms of the Bohr magneton μB, the orbital magnetic
	moments for the pure elements at 300°K are: for iron, (0.0918±0.0033)μB
	(4.22% of Mt); for cobalt, (0.1472±0.0034)μB (8.81% of Mt); and for
	nickel, (0.0508±0.0012)μB (8.92% of Mt). The Ms values for the fcc
	phases of the alloys agree well with those reported by Meyer and
	Asch from their g-factor data. For these alloys, M0 is much more
	sensitive to the crystalline structure than Ms and Mt are. The relationship
	g′-1+g-1=1 holds for Fe-Ni and Fe-Co alloys (with the exception of
	one point) within the accuracy of the g-factor measurements (∼0.1-1.0%).},
  doi = {10.1103/PhysRev.184.492},
  numpages = {3},
  owner = {torsten},
  pdf = {PR/PR184_00492.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.16},
  url = {http://link.aps.org/abstract/PR/v184/p492}
}

@ARTICLE{Sch1972,
  author = {Schwarz, Karlheinz},
  title = {Optimization of the {S}tatistical {E}xchange {P}arameter $\alpha{}$
	for the {F}ree {A}toms {H} through {Nb}},
  journal = {{P}hysical {R}eview {B}},
  year = {1972},
  volume = {5},
  pages = {2466--2468},
  number = {7},
  month = Apr,
  abstract = {We have examined two criteria for determining the exchange parameter
	α which occurs in the Xα local-statistical-exchange approximation,
	an approximation widely used in energy-band and molecular calculations.
	These criteria are (i) adjustment of the statistical total energy
	to the Hartree-Fock total energy, leading to αHF, and (ii) satisfaction
	of the virial theorem, leading to αvt. We have calculated the values
	of the parameter α corresponding to these two criteria for the neutral
	atoms H through Nb, and compared them with the values αmin corresponding
	to the Hartree-Fock total-energy minimization criterion employed
	earlier by Kmetko and Wood. While the last-mentioned criterion leads
	to α values which show large fluctuations across the periodic table
	as a function of Z, the α values obtained by either of the two criteria
	used in this paper show a systematic variation as a function of Z,
	reflecting the shell structure of the atoms, and varying linearly
	with Z within the range of Z for which a particular atomic subshell
	is being filled.},
  doi = {10.1103/PhysRevB.5.2466},
  language = {english},
  numpages = {2},
  owner = {ohm},
  pdf = {PRB/PRB05_02466.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.04},
  url = {http://link.aps.org/abstract/PRB/v5/p2466}
}

@ARTICLE{SKW1986,
  author = {Singh, David and Krakauer, Henry and Wang, C. S.},
  title = {Accelerating the convergence of self-consistent linearized augmented-plane-wave
	calculations},
  journal = {{P}hysical {R}eview {B}},
  year = {1986},
  volume = {34},
  pages = {8391--8393},
  number = {12},
  month = Dec,
  abstract = {The applicability of Broyden’s second method for accelerating the
	convergence of self-consistent electronic-structure calculations
	based on the linearized augmented-plane-wave method is discussed
	in terms of a W(001) surface calculation. It is found that its use
	results in a significant improvement in the convergence of the calculation,
	and based on this it is concluded that its use should increase the
	size of the systems for which such calculations are feasible.},
  doi = {10.1103/PhysRevB.34.8391},
  keywords = {PACS: 02.70.+d, 71.45.Nt},
  numpages = {2},
  owner = {ohm},
  pdf = {PRB/PRB34_08391.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.06.29},
  url = {http://link.aps.org/abstract/PRB/v34/p8391}
}

@BOOK{Skr1984,
  title = {The \textsl{LMTO} {M}ethod - \textsl{Muffin}-\textsl{Tin} {O}rbitals
	and {E}lectronic {S}tructure},
  publisher = {Springer Verlag -- Berlin Heidelberg},
  year = {1984},
  editor = {Manuel Cordona and Peter Fulde},
  author = {Hans L. Skriver},
  volume = {41},
  series = {Springer Series in Solid-State Sciences},
  isbn = {\mbox{3~540~11519-6}},
  owner = {torsten},
  timestamp = {2006.07.29}
}

@ARTICLE{Skr1985,
  author = {Skriver, Hans L.},
  title = {Crystal structure from one-electron theory},
  journal = {{P}hysical {R}eview {B}},
  year = {1985},
  volume = {31},
  pages = {1909--1923},
  number = {4},
  month = feb,
  abstract = {We have studied the crystal structures of all the 3d, 4d, and 5d transition
	metals at zero pressure and temperature by means of the linear muffin-tin
	orbital method and Andersen’s force theorem. We find that, although
	the structural energy differences seem to be overestimated by the
	theory, the predicted crystal structures are in accord with experiment
	in all cases except 79Au. In addition, we have investigated the effect
	of pressure upon the alkali metals (3Li, 11Na, 37Rb, 55Cs) and selected
	lanthanide metals (57La, 58Ce, 71Lu) and actinide metals (90Th, 91Pa).
	In these cases the theory gives accurate predictions of the stability
	of the close-packed structures but is found to be less accurate for
	open structures such as α-U.},
  doi = {10.1103/PhysRevB.31.1909},
  keywords = {PACS: 61.55.-x, 64.70.Kb, 71.25.Pi, 81.30.Bx},
  numpages = {14},
  owner = {torsten},
  pdf = {PRB/PRB31_01909.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.28},
  url = {http://prola.aps.org/abstract/PRB/v31/i4/p1909_1}
}

@ARTICLE{SS1991,
  author = {Marlina Slamet and Viraht Sahni},
  title = {Generalized gradient-expansion approximation for the exchange energy},
  journal = {Physical {R}eview {B} ({C}ondensed {M}atter)},
  year = {1991},
  volume = {44},
  pages = {10921--10924},
  number = {19},
  month = nov,
  abstract = {In this work we have studied the generalized gradient-expansion approximation
	({GGA}) for the exchange energy proposed by {P}erdew to each order
	up to {O}( [nabla] 3) for the expansion of the {F}ermi-hole charge
	as applied to atoms. {W}e have discovered that the {F}ermi hole to
	{O}( [nabla] 3) leads to exchange energies less accurate than those
	of the expansion to {O}( [nabla] 2) when compared with the results
	of {H}artree-{F}ock theory. {T}he results to {O}( [nabla] 2), however,
	are more accurate than those of {O}( [nabla] ) as expected, but the
	latter are superior to those of {O}( [nabla] 3) for the heavier atoms
	considered. {I}n addition, the exchange energies in the {GGA} to
	{O}( [nabla] ) and {O}( [nabla] 3) are both more accurate than those
	of the gradient-expansion approximation to {O}( [nabla] 2). {B}y
	an analysis of the structure of the approximate {F}ermi holes to
	each order, we explain all these results. {W}e also explain why the
	{GGA} to each order cannot lead to the correct asymptotic structure
	of the effective potential.},
  doi = {10.1103/PhysRevB.44.10921},
  keywords = {DENSITY FUNCTIONAL METHOD; ATOMIC MODELS; EXCHANGE INTERACTIONS; HARTREE
	- FOCK METHOD; FERMI STATISTICS; NEON; S STATES; P STATES; D STATES;
	ENERGY - LEVEL TRANSITIONS},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB44_10921.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PRB/v44/p10921}
}

@ARTICLE{Sla1951,
  author = {John C. Slater},
  title = {A {S}implification of the {H}artree-{F}ock {M}ethod},
  journal = {{P}hysical {R}eview},
  year = {1951},
  volume = {81},
  pages = {385–390},
  number = {3},
  month = feb,
  abstract = {It is shown that the Hartree-Fock equations can be regarded as ordinary
	Schrödinger equations for the motion of electrons, each electron
	moving in a slightly different potential field, which is computed
	by electrostatics from all the charges of the system, positive and
	negative, corrected by the removal of an exchange charge, equal in
	magnitude to one electron, surrounding the electron whose motion
	is being investigated. By forming a weighted mean of the exchange
	charges, weighted and averaged over the various electronic wave functions
	at a given point of space, we set up an average potential field in
	which we can consider all of the electrons to move, thus leading
	to a great simplification of the Hartree-Fock method, and bringing
	it into agreement with the usual band picture of solids, in which
	all electron are assumed to move in the same field. We can further
	replace the average exchange charge by the corresponding value which
	we should have in a free-electron gas whose local density is equal
	to the density of actual charge at the position in question; this
	results in a very simple expression for the average potential field,
	which still behaves qualitatively like that of the Hartree-Fock method.
	This simplified field is being applied to problems in atomic structure,
	with satisfactory results, and is adapted as well to problems of
	molecules and solids.},
  doi = {10.1103/PhysRev.81.385},
  owner = {torsten},
  pdf = {PR/PR81_00385.pdf},
  timestamp = {2006.06.17},
  url = {http://link.aps.org/abstract/PR/v81/p385}
}

@ARTICLE{Sla1937,
  author = {John C. Slater},
  title = {The {T}heory of {F}erromagnetism: {L}owest {E}nergy {L}evels},
  journal = {Physical Review},
  year = {1937},
  volume = {52},
  pages = {198–214},
  number = {3},
  month = Aug,
  abstract = {The theory of ferromagnetism is formulated both by the method of energy
	bands and the method of spin waves, and the connection between them
	is investigated. The particular problem considered is that where
	N-1 electrons in a band have one spin, one electron the opposite
	spin. Each method yields a set of unperturbed wave functions, each
	of which can be expressed in terms of the other. Neither represents
	the true situation, which must be found by perturbation theory. The
	final result is that below the continuum of levels indicated by the
	energy band theory there is a set of discrete levels. The lowest
	of these is essentially a spin wave, and is the state ordinarily
	occupied. For investigating the temperature variation of magnetization,
	the spin wave theory should be used. On the other hand, the energy
	band theory leads to approximately correct conclusions as to which
	elements should be ferromagnetic. The formulation is in terms of
	orthogonal atomic functions, which have advantages compared with
	the nonorthogonal functions usually employed. In the limit of broad
	energy bands, and nonferromagnetic substances, the discrete levels
	approach the continuum, and their wave functions represent a situation
	in which the electron of negative spin can wander to a considerable
	distance from the positive ion which it has left, but not to infinite
	distance.},
  doi = {10.1103/PhysRev.52.198 10.1103/PhysRev.52.198 10.1103/PhysRev.52.198},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR052_00198.pdf},
  timestamp = {2006.05.15},
  url = {http://link.aps.org/abstract/PR/v52/p198}
}

@ARTICLE{Sla1936a,
  author = {John C. Slater},
  title = {The {F}erromagnetism of {N}ickel},
  journal = {Physical Review},
  year = {1936},
  volume = {49},
  pages = {537–545},
  number = {7},
  month = Apr,
  abstract = {By using metallic energy levels extrapolated from copper to nickel,
	the energy difference between a nonmagnetic and a ferromagnetic state
	with permanent magnetic moment is calculated for nickel, and it is
	shown that the ferromagnetic state is the stable one. Both saturation
	magnetic moment and Curie point are calculated, in agreement with
	experiment within the limits of error of the calculation. Extrapolation
	further into the iron group, though less justified than to nickel,
	indicates that ferromagnetism should persist in that group down approximately
	to iron. The criterion for ferromagnetism previously suggested by
	the author, the existence of inner unfilled electron shells (the
	3d), small in proportion to their distance apart, is justified. The
	calculation is not made according to Heisenberg's method, which is
	considered to be unsuitable for application to ferromagnetism, except
	in its general principle of explaining the energy of orientation
	of elementary magnets in terms of exchange energy.},
  doi = {10.1103/PhysRev.49.537},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR049_00537.pdf},
  timestamp = {2006.05.15},
  url = {http://link.aps.org/abstract/PR/v49/p537}
}

@ARTICLE{Sla1936b,
  author = {John C. Slater},
  title = {The {F}erromagnetism of {N}ickel. {II}. {T}emperature {E}ffects},
  journal = {Physical Review},
  year = {1936},
  volume = {49},
  pages = {931–937},
  number = {12},
  month = Jun,
  abstract = {With the model proposed in an earlier paper, the temperature variation
	of the ferromagnetism of nickel is discussed. By application of Fermi
	statistics to the electrons in the d bands, the free energy is computed
	as a function of temperature and magnetic moment. At each temperature,
	the value of magnetic moment for which the free energy is a minimum
	is the value which will actually be found, and this decreases with
	increasing temperature, going to zero at the Curie point, in satisfactory
	agreement with experiment. The value of the free energy itself at
	the minimum, as a function of temperature, is compared with experimental
	values derived from the observed electronic specific heat of nickel,
	and the agreement is again satisfactory. To get agreement of both
	quantities with experiment, it is necessary to use a smaller exchange
	integral than was suggested in the earlier paper, but plausible reasons
	are suggested for thinking that this should be done anyway. It is
	found that even at the absolute zero not quite all of the spins are
	parallel to each other, the minimum in the free energy curve coming
	at a little less than the maximum possible magnetic moment. It is
	suggested that this small effect becomes much more pronounced as
	iron is approached in the series of ferromagnetic elements, explaining
	the fact that alloys of iron and cobalt show the highest saturation
	moments of any ferromagnetic substances, the moment then decreasing
	in iron and even more in alloys of iron with lighter elements.},
  doi = {10.1103/PhysRev.49.931},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR049_00931.pdf},
  timestamp = {2006.05.15},
  url = {http://link.aps.org/abstract/PR/v49/p931}
}

@ARTICLE{SJ1972,
  author = {Slater, John C. and Johnson, Keith H.},
  title = {Self-{C}onsistent-{F}ield ${X}\alpha{}$ {C}luster {M}ethod for {P}olyatomic
	{M}olecules and {S}olids},
  journal = {{P}hysical {R}eview {B}},
  year = {1972},
  volume = {5},
  pages = {844--853},
  number = {3},
  month = Feb,
  abstract = {This paper describes a practical self-consistent-field (SCF) method
	of calculating electronic energy levels and eigenfunctions, adapted
	for polyatomic molecules and solids. The one-electron Schrödinger
	equation is set up for a so-called "muffin-tin" approximation to
	the true potential, spherically symmetrical within spheres surrounding
	the various nuclei, constant in the region between the spheres, spherically
	symmetrical outside a sphere surrounding the molecule. The method
	of solving this equation is a multiple-scattering method, equivalent
	to the Korringa-Kohn-Rostoker (KKR) method often used for crystals.
	Once the eigenfunctions and eigenvalues of this problem are determined,
	one assumes that the orbitals of lowest eigenvalue are occupied,
	up to a Fermi level. From the resulting charge densities, one can
	compute a total energy, using a statistical approximation for the
	exchange correlation. This approximation has an undetermined factor
	α (whence the name Xα method). The spin orbitals and occupation numbers
	are varied to minimize this total energy, resulting in one-electron
	equations. The value of α for an isolated atom is determined by requiring
	that the total energy, using the statistical approximation, should
	equal the precise Hartree-Fock energy. This leads to very accurate
	spin orbitals. In a molecule or crystal, one uses the α's characteristic
	of the various atoms within the atomic spheres, and a suitable average
	in the region between. The computer programs for making these self-consistent
	calculations, for such radicals and polyatomic molecules as SO4-2,
	ClO4-, MnO4-, and SF6 have been worked out and calculations made.
	They are more than 100 times as fast as comparable programs using
	the LCAO (linear-combination-of-atomic-orbitals) method, and the
	results appear to be in better agreement with experiment than such
	LCAO results. For calculating the frequencies of optical transitions,
	one must make a self-consistent calculation, not for the initial
	or final state, but for what we call the transition state, in which
	occupation numbers are halfway between the initial and final states.
	Then it can be proved that the differences of eigenvalues of the
	Xα method are more accurate than Hartree-Fock energy values, in that
	they take account of the modification or relaxation of the orbitals
	in going from the initial to the final states. These transition states,
	for a crystal, involve a localized perturbation at the site of the
	excited atom. The multiple-scattering method is adapted to the use
	of such perturbed crystals, as well as to isolated molecules, and
	to perfect crystals. It results, in such problems as x-ray absorption,
	in the use of localized orbitals rather than bandlike functions.
	The method is adapted to the calculation of magnetic problems, by
	use of a spin-polarized version of the method. The method can also
	be used for calculations of cohesive energy of crystals, and has
	been used successfully for several types of metals. Unlike most other
	SCF methods, long-range correlation is automatically included, so
	that the energy of a system as a function of internuclear positions
	automatically reduces to the proper values at infinite internuclear
	distances.},
  doi = {10.1103/PhysRevB.5.844},
  language = {english},
  numpages = {9},
  owner = {ohm},
  pdf = {PRB/PRB05_00844.pdf},
  publisher = {American Physical Society},
  timestamp = {2006.07.04},
  url = {http://link.aps.org/abstract/PRB/v5/p844}
}

@ARTICLE{SK1954,
  author = {John C. Slater and George F. Koster},
  title = {Simplified {LCAO} {M}ethod for the {P}eriodic {P}otential {P}roblem},
  journal = {Physical {R}eview},
  year = {1954},
  volume = {94},
  pages = {1498--1524},
  number = {6},
  month = jun,
  abstract = {The {LCAO}, or {B}loch, or tight binding, approximation for solids
	is discussed as an interpolation method, to be used in connection
	with more accurate calculations made by the cellular or orthogonalized
	plane-wave methods. {I}t is proposed that the various integrals be
	obtained as disposable constants, so that the tight binding method
	will agree with accurate calculations at symmetry points in the {B}rillouin
	zone for which these calculations have been made, and that the {LCAO}
	method then be used for making calculations throughout the {B}rillouin
	zone. {A} general discussion of the method is given, including tables
	of matrix components of energy for simple cubic, face-centered and
	body-centered cubic, and diamond structures. {A}pplications are given
	to the results of {F}letcher and {W}ohlfarth on {N}i, and {H}owarth
	on {C}u, as illustrations of the fcc case. {I}n discussing the bcc
	case, the splitting of the energy bands in chromium by an antiferromagnetic
	alternating potential is worked out, as well as a distribution of
	energy states for the case of no antiferromagnetism. {F}or diamond,
	comparisons are made with the calculations of {H}erman, using the
	orthogonalized plane-wave method. {T}he case of such crystals as
	{I}n{S}b is discussed, and it is shown that their properties fit
	in with the energy band picture.},
  doi = {10.1103/PhysRev.94.1498},
  language = {english},
  owner = {ohm},
  pdf = {PR/PR94_01498.pdf},
  publisher = {APS},
  timestamp = {2005.09.16},
  url = {http://link.aps.org/abstract/PR/v94/p1498}
}

@ARTICLE{Sta1994,
  author = {Julie B. Staunton},
  title = {The electronic structure of magnetic transition metallic materials},
  journal = {{R}eports on {P}rogress in {P}hysics},
  year = {1994},
  volume = {67},
  pages = {1289--1344},
  number = {12},
  month = dec,
  abstract = {The spin-polarized electronic structure of magnetic transition metallic
	materials is shown to be a fundamental part of spin density functional
	(SDF) theory which is able to give a quantitative account of many
	ground-state magnetic properties. Recent developments in the implementation
	of this theory are mentioned and comments made concerning the comparison
	of the electronic structure with spectroscopic measurements. The
	consequences of spin-orbit coupling effects on the electronic structure
	for magnetic anisotropy are uncovered via a relativistic generalization.
	The electronic structure of crystalline, magnetic and transition
	metal alloys is discussed in some detail and the implications for
	low-temperature, magnetic and related properties given. These include
	magneto-volume effects and the connection between magnetism and compositional
	order. Recent work on amorphous, metallic magnets, magnetic overlayers,
	thin films and multilayers is briefly described. The theory for low-temperature
	magnetic excitations is outlined in terms of the dynamic, spin susceptibility,
	which is also based on the electronic structure. This gives an account
	of spin waves in ferromagnets and spin fluctuations in paramagnets.
	The picture of the paramagnetic state of transition metal ferromagnets
	at high temperatures is described in which spin fluctuations are.
	Modelled as 'local moments', SDF theory is consequently extended
	to finite temperatures. The underlying electronic structure is shown
	to be modified in some cases by these collective electronic effects.
	Throughout the article, the successes and limitations of the theoretical
	results, when compared to experimental measurements, are set out.},
  doi = {10.1088/0034-4885/57/12/002},
  owner = {torsten},
  pdf = {RPP/RPP58_01289.pdf},
  timestamp = {2006.08.04},
  url = {http://stacks.iop.org/0034-4885/57/1289}
}

@ARTICLE{Sto1951,
  author = {Edmund C. Stoner},
  title = {Collective Electron Ferromagnetism in Metals and Alloys},
  journal = {Le Journal de Physique et Le Radium},
  year = {1951},
  volume = {12},
  pages = {372--388},
  month = mar,
  owner = {ohm},
  timestamp = {2006.05.15}
}

@ARTICLE{Sto1946,
  author = {Edmund C. Stoner},
  title = {Ferromagnetism},
  journal = {{R}eports on {P}rogress in {P}hysics},
  year = {1946},
  volume = {11},
  pages = {43--112},
  number = {1},
  doi = {10.1088/0034-4885/11/1/304},
  language = {english},
  owner = {ohm},
  pdf = {RPP/RepProgPhys_1946_11_1_43.pdf},
  timestamp = {2006.05.15},
  url = {http://www.iop.org/EJ/abstract/0034-4885/11/1/304}
}

@BOOK{STK1970,
  title = {Multiplets of Transition-Metal Ions in Crystals},
  publisher = {Academic Press, New York and London},
  year = {1970},
  author = {Satoru Sugano and Yukito Tanabe and Hiroshi Kamimura},
  volume = {33},
  series = {Pure and Applied Physics},
  owner = {torsten},
  timestamp = {2006.08.06}
}

@BOOK{Sun2005,
  title = {Sun\texttrademark Studio 11 -- Numerical Computation Guide},
  publisher = {i{U}universe Inc.},
  year = {2005},
  author = {Sun Microsystems, Inc.},
  month = {November},
  abstract = {This book describes the floating-point environment supported by software
	and hardware on SPARC(R) platforms running the Solaris[tm] Operating
	System. This book discusses certain aspects of the IEEE Standard
	for Binary Floating-Point Arithmetic, the math libraries provided
	with the Solaris Operating System and Sun[tm] Studio compilers, and
	exceptions and exception handling. Fortran 95 examples and ANSI C
	examples mare provided.},
  isbn = {\mbox{0595353347}},
  owner = {torsten},
  timestamp = {2006.07.13},
  url = {http://docs.sun.com/app/docs/doc/819-3693}
}

@ARTICLE{TQWp2002,
  author = {W. X. Tang and D. Qian and D. Wu and Y. Z. Wu and G. S. Dong and
	X. F. Jin and S. M. Chen and X. M. Jiang and X. X. Zhang and Z. Zhang},
  title = {Growth and magnetism of {Ni} films on {GaAs}(0 0 1)},
  journal = {Journal of Magnetism and Magnetic Materials},
  year = {2002},
  volume = {240},
  pages = {404-405},
  number = {1--3},
  month = Feb,
  abstract = {Epitaxial growth of Ni thin films on GaAs(0 0 1) and their magnetic
	property have been investigated using reflection high energy electron
	diffraction and magneto-optical Kerr effect. The result shows that
	a body-centered-cubic (BCC) phase of Ni which does not exist in nature
	can grow epitaxially up to 2.5 nm on the GaAs(0 0 1) substrate, and
	it is determined to be ferromagnetic showing a four-fold in-plane
	magnetic anisotropy with the easy axes along the left angle bracket1
	0 0right-pointing angle bracket directions.},
  doi = {10.1016/S0304-8853(01)00844-7},
  keywords = {Epitaxy; Metastable phases; Anisotropy – thin films},
  language = {english},
  owner = {ohm},
  pdf = {JMMM/JMMM240_2002_00404.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/S0304-8853(01)00844-7}
}

@ARTICLE{TQWp2005,
  author = {C. S. Tian and D. Qian and D. Wu and R. H. He and Y. Z. Wu and W.
	X. Tang and L. F. Yin and Y. S. Shi and G. S. Dong and X. F. Jin
	and X. M. Jiang and F. Q. Liu and H. J. Qian and K. Sun and L. M.
	Wang and G. Rossi and Z. Q. Qiu and J. Shi},
  title = {Body-Centered-Cubic Ni and Its Magnetic Properties},
  journal = {{P}hysical {R}eview {L}etters},
  year = {2005},
  volume = {94},
  pages = {137210},
  number = {13},
  month = Apr,
  eid = {137210},
  abstract = {The body-centered-cubic (bcc) phase of Ni, which does not exist in
	nature, has been achieved as a thin film on GaAs(001) at 170 K via
	molecular beam epitaxy. The bcc Ni is ferromagnetic with a Curie
	temperature of 456 K and possesses a magnetic moment of 0.52±0.08µB/atom.
	The cubic magnetocrystalline anisotropy of bcc Ni is determined to
	be +4.0×105 ergs·cm-3, as opposed to -5.7×104 ergs·cm-3 for the naturally
	occurring face-centered-cubic (fcc) Ni. This sharp contrast in the
	magnetic anisotropy is attributed to the different electronic band
	structures between bcc Ni and fcc Ni, which are determined using
	angle-resolved photoemission with synchrotron radiation.},
  doi = {10.1103/PhysRevLett.94.137210},
  keywords = {Curie temperature; ferromagnetic materials; magnetic anisotropy; magnetic
	epitaxial layers; nickel; band structure; X-ray photoelectron spectra;
	semiconductor-metal boundaries},
  numpages = {4},
  owner = {torsten},
  pdf = {PRL/PRL94_137210.pdf},
  publisher = {APS},
  timestamp = {2006.05.29},
  url = {http://link.aps.org/abstract/PRL/v94/e137210}
}

@ARTICLE{VWR1986,
  author = {Chandra M. Varma and Werner Weber and Lisa J. Randall},
  title = {Hybridization in correlated bands studied with the {G}utzwiller method:
	{A}pplication to fluctuating valence and heavy fermions},
  journal = {Physical {R}eview {B}},
  year = {1986},
  volume = {33},
  pages = {1015–1019},
  number = {2},
  month = jan,
  abstract = {A model with two hybridized orbitals per site, one of which is correlated
	and the other is not, is considered. {A} variational wave function
	of the {G}utzwiller form is used to calculate the mass enhancement.
	{U}nlike models with one orbital per site, there is no metal-insulator
	transition in the model because the occupation in the correlated
	orbital deviates from unity as the correlation energy increases.
	{T}he binding energy and the effective mass as a function of the
	correlation energy and the hybridization energy is calculated. {T}he
	relationship of the wave function used to wave functions explicitly
	showing the {K}ondo effect is discussed.},
  doi = {10.1103/PhysRevB.33.1015},
  keywords = {71.45.-d, 72.15.-v},
  language = {english},
  owner = {ohm},
  pdf = {PRB/PRB33_01015.pdf},
  timestamp = {2006.04.13},
  url = {http://link.aps.org/abstract/PRB/v33/p1015}
}

@ARTICLE{Vle1953,
  author = {John Hasbrouck van Vleck},
  title = {Models of Exchange Coupling in Ferromagnetic Media},
  journal = {{R}eview of {M}odern {P}hysics},
  year = {1953},
  volume = {25},
  pages = {220--227},
  number = {1},
  month = Jan,
  doi = {10.1103/RevModPhys.25.220},
  language = {english},
  owner = {ohm},
  pdf = {RMP/RMP25_00220.pdf},
  timestamp = {2006.05.09},
  url = {http://link.aps.org/abstract/RMP/v25/p220}
}

@ARTICLE{WLJ1987,
  author = {Z. Q. Wang and Y. S. Li and F. Jona},
  title = {Epitaxial growth of body-centered-cubic nickel on iron},
  journal = {{S}olid {S}tate {C}ommunications},
  year = {1987},
  volume = {61},
  pages = {623--626},
  number = {10},
  month = Mar,
  abstract = {Studies by low-energy electron diffraction (LEED) and Auger electron
	spectroscopy of nickel films grown in ultra-high vacuum onto a clean
	Fe{001} surface show that the films have the body-centered cubic
	structure with the same lattice constant and the same multilayer
	relaxation as the clean substrate, as long as they are thinner than
	about 6 layers. LEED intensity analyses show that the multilayer
	relaxation of both clean Fe{001} and 3-layer thick Ni films involves
	5% contraction of the first and 5% expansion of the second interlayer
	spacing. These new values of the multilayer relaxation of clean Fe{001}
	represent an improvement over previous determinations. Thicker Ni
	films, up to 100 layers, have a complicated structure that is neither
	b.c.c. nor f.c.c. Short anneals at temperatures between 200 and 650°C
	cause rapid diffusion of Ni into the Fe substrate with little evidence
	for formation of the stable f.c.c. phase of Ni.},
  doi = {10.1016/0038-1098(87)90374-7},
  language = {english},
  owner = {ohm},
  pdf = {SolidStateCommun/SolidStateCommun061_1987_00623.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/0038-1098(87)90374-7}
}

@ARTICLE{Was1987,
  author = {Eberhard F. Wassermann},
  title = {Invar: A new approach to an old problem of magnetism},
  journal = {Festkörperprobleme -- Advances is Solid State Physics},
  year = {1987},
  volume = {27},
  pages = {85--107},
  isbn = {\mbox{3~528~08033~7}},
  issn = {\mbox{04030~3393}},
  language = {english},
  owner = {ohm},
  publisher = {Friedrich Viehweg \& Sohn Verlagsgesellschaft~mbH, Braunschweig,
	Wiesbaden},
  timestamp = {2006.08.03}
}

@PHDTHESIS{Wei2005,
  author = {Stefan Weiser},
  title = {Multiband-Gutzwiller-Methode fur Nickeloxid},
  school = {Universität Dortmund},
  year = {2005},
  month = Jul,
  owner = {ohm},
  pdf = {/homes/ohm/Documents/Dissertationen/Weiser.pdf},
  timestamp = {2006.06.19},
  url = {http://hdl.handle.net/2003/21624}
}

@ARTICLE{Woh1953,
  author = {Erich Peter Wohlfarth},
  title = {The Theoretical and Experimental Status of the Collective Electron
	Theory of Ferromagnetism},
  journal = {{R}eview of {M}odern {P}hysics},
  year = {1953},
  volume = {25},
  pages = {211–219},
  number = {1},
  month = Jan,
  abstract = {This paper is intended to supplement the review articles published
	by Stoner in 1948 and 1951, firstly by considering in greater detail
	the quantum-mechanical and statistical-mechanical foundations of
	the collective electron theory and secondly by considering briefly
	a wider range of relevant experimental results.
	
	In Sec. 1 previous theoretical work is recalled. In Sec. 2 the difficulties
	of a rigorous quantum mechanical derivation of the internal energy
	of a ferromagnetic metal at absolute zero are outlined. In order
	to determine at least the form of the expressions, a calculation
	based on the tight binding approximation is described for a crystal
	containing N singly charged ions, which are fairly widely separated,
	and N electrons. The forms of the Coulomb and exchange contributions
	to the energy are discussed in the two instances of maximum and minimum
	multiplicity. The need for a correlation correction is stressed,
	and the effects of this correction are discussed with special reference
	to the state of affairs at infinite ionic separation. The fundamental
	difficulties involved in calculating the energy as function of magnetization
	are considered below; it is shown that they are probably less serious
	for tightly bound than for free electrons, so that the approximation
	of neglecting them in the first instance is not too unreasonable.
	The dependence of the exchange energy on the relative magnetization
	ζ is then of the form ΣnAnζ2n/2n, and the relative orders of magnitude
	of A1 and A2 are considered. A previous calculation by Slater is
	critically reviewed.
	
	In an application of statistical mechanics the difficulty arises that
	only if ζ=1 or 0 will the zero-order wave function be in general
	a single Slater determinant. A calculation by Lidiard on this problem,
	that of spin degeneracy, is referred to. The relevance of the dependence
	of the interaction energies on wave vector is stressed. If these
	energy contributions are constant, then the free energy expression
	is that derived by Stoner, based on Fermi-Dirac statistics, even
	if spin degeneracy is taken into account. Several related difficulties
	are exemplified by a discussion of the properties of the free-electron
	gas, for which the exchange energy varies rapidly with wave vector
	ki, kj when |ki-kj|→0. For tightly bound electrons the dependence
	on wave vector is much less rapid, and it is suggested that spin
	degeneracy effects are here less serious. A simple calculation of
	the low temperature electronic heat of tightly bound electrons, including
	exchange and correlation, is referred to in exemplification.
	
	In Sec. 3 several experimental results are briefly discussed, including
	the following: (1) The variation with composition of the Curie temperature
	and saturation magnetization, and the variation with temperature
	of the susceptibility of nickel alloys; (2) the variation with temperature
	of the magnetization, electronic heat, and magnetocaloric effect
	of cubic cobalt, nickel, and nickel alloys below the Curie point;
	(3) the high temperature electronic heat of nickel and palladium;
	(4) the electronic properties of chromium and some other transition
	metals; (5) the electronic properties of palladium and its alloys.},
  doi = {10.1103/RevModPhys.25.211},
  language = {english},
  owner = {ohm},
  pdf = {RMP/RMP25_00211.pdf},
  timestamp = {2006.05.15},
  url = {http://link.aps.org/abstract/RMP/v25/p211}
}

@ARTICLE{WDJ2004,
  author = {J. Wu and G. S. Dong and Xiaofeng Jin},
  title = {Temperature-dependent magnetization in a ferromagnetic bilayer consisting
	of two materials with different Curie temperatures},
  journal = {Physical Review B},
  year = {2004},
  volume = {70},
  pages = {212406},
  number = {21},
  eid = {212406},
  abstract = {A structure-dependent self-consistent mean-field model has been used
	to calculate the temperature-dependent magnetization in ferromagnetic
	bilayers that consist of two materials with different Curie temperatures.
	The magnetization versus temperature curves [S(T)] are found to be
	structure sensitive among the bilayer systems with simple cubic,
	face-centered-cubic, and body-centered-cubic structures. The Curie
	temperature (Tc) enhancement of the systems due to the interface
	exchange coupling is discussed quantitatively as a function of bilayer
	structure as well as the interface coupling strength. The interface
	effect on the layer-dependent magnetization curves Si(T) is discussed.},
  doi = {10.1103/PhysRevB.70.212406},
  keywords = {magnetisation; Curie temperature; SCF calculations; interface magnetism;
	exchange interactions (electron); ferromagnetism},
  numpages = {4},
  owner = {ohm},
  pdf = {PRB/PRB70_212406.pdf},
  publisher = {APS},
  timestamp = {2006.05.19},
  url = {http://link.aps.org/abstract/PRB/v70/e212406}
}

@ARTICLE{WDJp1999,
  author = {Y. Z. Wu and H. F. Ding and C. Jing and D. Wu and G. S. Dong and
	X. F. Jin and K. Sun and S. Zhu},
  title = {Epitaxy and magnetism of Co on GaAs(0 0 1)},
  journal = {{J}ournal of {M}agnetism and {M}agnetic {M}aterials},
  year = {1999},
  volume = {198--199},
  pages = {297-299},
  month = Jun,
  abstract = {Epitaxial structure of Co on GaAs(0 0 1) is studied by cross section
	high resolution transmission electron microscope. A bilayer structure
	is confirmed in the Co thin-film, where a body-centered-cubic (BCC)
	phase near the interface and a two-domain hexagonal-close-packed
	(HCP) phase on the top. Using the magneto-optical Kerr effect (MOKE)
	measurement, the in-plane magnetic anisotropy of the BCC phase is
	determined as a fourfold symmetry with easy axes along the left angle
	bracket1 0 0right-pointing angle bracket directions. Strongly depending
	on the growth temperature, the two-domain HCP phase shows either
	a uniaxial symmetry along the left angle bracket1 1 0right-pointing
	angle bracket direction or a fourfold symmetry with easy axes along
	the left angle bracket1 0 0right-pointing angle bracket directions.},
  doi = {10.1016/S0304-8853(98)01112-3},
  keywords = {Epitaxy; Thin films; Symmetry},
  language = {english},
  owner = {ohm},
  pdf = {JMMM/JMMM198-199_1999_00297.pdf},
  timestamp = {2006.05.24},
  url = {http://dx.doi.org/10.1016/S0304-8853(98)01112-3}
}

@BOOK{BDN2001,
  title = {Band-Ferromagnetism - Ground-State and Finite-Temperature Phenomena},
  publisher = {Springer-Verlag, Berlin, Heidelberg, New York},
  year = {2001},
  editor = {Klaus Baberschke and Wolfgang Nolting and Markus Donath},
  volume = {850},
  series = {Lecture Notes in Physics},
  month = jan,
  isbn = {\mbox{3~540~42389~3}},
  issn = {\mobx{1616~6361}},
  owner = {ohm},
  timestamp = {2006.08.07},
  url = {http://www.springerlink.com/openurl.asp?genre=issue&issn=1616-6361&volume=580}
}

@BOOK{LB1986,
  title = {Landolt Börnstein - Numerical Data and Functional Relationships in
	Science and Technology - New Series III: Crystal and Solid State
	Physics},
  publisher = {Berlin ; Heidelberg ; New York ; Barcelona ; Budapest ; Hong Kong
	; London ; Milan ; Paris ; Singapore ; Tokyo : Springer},
  year = {1986},
  editor = {Landolt, Hans and K.-H. Hellwege and 0. Madelung and H. P. J. Wijn},
  volume = {19a},
  isbn = {\mbox{3 540 15904 5}},
  owner = {ohm},
  timestamp = {2006.07.17}
}

@BOOK{Woh1980Book,
  publisher = {North-Holland Publishing Company, Amsterdam},
  year = {1980},
  editor = {E. P. Wohlfarth},
  volume = {1},
  series = {Ferromagnetic Materials},
  owner = {torsten},
  timestamp = {2006.05.29}
}

@BOOK{IFFFK24,
  title = {Magnetismus von Festkörpern und Grenzflächen},
  publisher = {Forschungszentrum Jülich GmbH},
  year = {1993},
  volume = {24},
  series = {IFF Ferienkurs},
  isbn = {\mbox{3~89336~110~3}},
  owner = {torsten},
  timestamp = {2006.05.30}
}

@comment{jabref-meta: selector_journal:{ J}ournal of {L}ow {T}emperatu
re {P}hysics;{C}hinese {J}ournal of {P}hysics;{J}ournal of {A}pplied {
P}hysics;{J}ournal of {C}rystal {G}rowth;{J}ournal of {M}agnetism and 
{M}agnetic {M}aterials;{J}ournal of {P}hysics and {C}hemistry of {S}ol
ids;{J}ournal of {P}hysics {C}: {S}olid {S}tate {P}hysics;{J}ournal of
 {V}acuum {S}cience \\& {T}echnology {A}: {V}acuum, {S}urfaces, and {F
}ilms;{M}athematics of {C}omputation;{P}hysical {R}eview;{P}hysical {R
}eview {B};{P}hysical {R}eview {L}etters;{P}hysics {R}eports;{R}eports
 on {P}rogress in {P}hysics;{R}eview of {M}odern {P}hysics;{S}olid {S}
tate {C}ommunications;}

@comment{jabref-meta: selector_author:E. P. Wohlfarth;Edmund C. Stoner
;G. Morandi;Hellmut Keiter;J. C. Slater;Martin C. Gutzwiller;Ole Krogh
 Anderson;V. L. Moruzzi;}

@comment{jabref-meta: selector_publisher:John Wiley \\& Sons;}

