局部密度近似下泊松方程和输运方程自洽解的非线性变分原理

H. Carrillo-Nuñez, W. Magnus, F. Peeters
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引用次数: 0

摘要

为了简化纳米器件中载流子输运的数值研究,而不影响完整量子力学处理的严谨性,我们利用现有的变分原理来求解自一致泊松方程和Schrödinger方程以及广义局部密度近似(GLDA)范围内的适当输运方程。在这项工作中,作为基准,我们已经应用我们的方法来计算硅纳米线中的弹道电流密度和电子浓度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A non-linear variational principle for the self-consistent solution of Poisson's equation and a transport equation in the local density approximation
In order to simplify the numerical investigation of carrier transport in nanodevices without jeopardizing the rigor of a full quantum mechanical treatment, we have exploited an existing variational principle to solve self-consistently Poisson's equation and Schrödinger's equation as well as an appropriate transport equation within the scope of the generalized local density approximation (GLDA). In this work, as a benchmark, we have applied our approach to compute the ballistic current density and electron concentration in a Si nanowire.
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