空间平均非平衡格林的函数方法用于3D中的量子传输
Vahid Mosallanejad1,2, Kuei-Lin Chiu3, Wenjie Dou1,2
1School of Science, Westlake University, Hangzhou, Zhejiang 310024, People's Republic of China.
概括
本研究介绍了非平衡格林函数 (NEGF) 方法的3D有限体积实现,用于中视系统. 这种新方法克服了模拟纳米电子设备的挑战,使开放量子系统的准确建模成为可能.
科学领域:
- 计算物理 计算物理
- 量子力学就是量子力学.
- 材料科学 材料科学 材料科学
背景情况:
- 介面镜系统和纳米电子设备需要先进的模拟方法.
- 现有的二维非平衡绿色函数 (NEGF) 实现面临三维限制.
- 基于有效质量的3D NEGF模拟对于下一代设备至关重要.
研究的目的:
- 将NEGF的2D有限体积 (FV) 实现扩展到一个完整的3D框架.
- 解决与3D NEGF模拟相关的关键实施挑战.
- 提供一个实用的工具来模拟三维的开放量子系统.
主要方法:
- 为NEGF方法开发一个3D有限体积 (FV) 离散.
- 与传统的有限差异 (FD) 实施的NEGF进行比较.
- 用于评估自身能量的配方,包括储库效应.
主要成果:
- 在克服3D NEGF实施挑战时,展示了FV离散的有效性.
- 在3D FV-NEGF框架内成功评估了自我能源.
- 通过两个不同的例子说明该方法的适用性.
结论:
- 开发的3D FV-NEGF实现提供了一个强大的解决方案,用于模拟 mesoscopic 系统.
- 这种方法对于需要完全三维域的开放量子系统尤其有价值.
- 这项工作为更准确地模拟复杂的纳米电子设备铺平了道路.
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