量子限制纤锌矿纳米结构的无杂散溶液包络函数模型

Xiangyu Zhou, F. Bertazzi, M. Goano, G. Ghione
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引用次数: 0

摘要

我们提出了一个纤锌矿纳米结构的多波段包络函数模型,该模型基于严格的数值计算程序,以确定非局部经验伪势计算的算子顺序和波段参数。所提出的方法导致了数值稳定的包络方程,精确地再现了在体带线性组合内获得的量子系统的全布里渊区子带色散。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A spurious-solution-free envelope function model for quantum-confined wurtzite nanostructures
We present a multiband envelope-function model for wurtzite nanostructures based on a rigorous numerical procedure to determine operator ordering and band parameters from nonlocal empirical pseudopotential calculations. The proposed approach leads to numerically stable envelope equations that accurately reproduce full-Brillouin-zone subband dispersions of quantum systems obtained within the linear combination of bulk bands.
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