Application of the tight-binding method onto the Von Neumann equation
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Date
2024-05-18
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Abstract
This paper presents a numerical framework for the analysis of quantum devices based on the Von Neumann (VN) equation, which involves the concept of the Tight-Binding Method (TBM). The model is based on the application of the Tight-Binding Hamiltonian within Quantum Liouville Type Equations and has the advantage that the atomic structure of the materials used is taken into account. Furthermore, the influence of a Complex Absorbing Potential (CAP) as a complementary boundary condition and its essential contribution to the system stability with respect to the eigenvalue spectrum is discussed.
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Tight-binding method, Density matrix, Quantum Liouville type equation, Complex absorbing potential