Application of the tight-binding method onto the Von Neumann equation

IF 2.2 4区工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC

Journal of Computational Electronics Pub Date : 2024-05-18 DOI:10.1007/s10825-024-02173-6

Alan Abdi, Dirk Schulz

引用次数: 0

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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将紧密结合法应用于冯-诺依曼方程

本文提出了一个基于冯-诺依曼（VN）方程的量子设备分析数值框架，其中涉及紧密结合法（TBM）的概念。该模型基于量子柳维尔式方程中紧密结合哈密顿的应用，其优点是考虑到了所用材料的原子结构。此外，还讨论了作为补充边界条件的复吸收势（CAP）的影响及其对特征值谱系统稳定性的重要贡献。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Computational Electronics ENGINEERING, ELECTRICAL & ELECTRONIC-PHYSICS, APPLIED

CiteScore

4.50

自引率

4.80%

发文量

142

审稿时长

>12 weeks

期刊介绍： he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered. In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.