Innovative full wave modeling of plasmon propagation in graphene by dielectric permittivity simulations based on density functional theory

L. Pierantoni, D. Mencarelli, A. Sindona, M. Gravina, M. Pisarra, C. V. Gomez, S. Bellucci
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引用次数: 4

Abstract

We report on an ab initio technique for modeling the electromagnetic response of graphene in the THz range. Quantum mechanical calculations are performed using linear response density functional theory, and compared with a semi-phenomenological model derived from the Kubo formula. We present a novel concept of dispersive conductivity, which goes beyond the Kubo-Drude model and results in a self-consistent constitutive relation for the analysis of plasmon propagation in complex nanosystems. The rigorous characterization of the constitutive relation may be inserted in electromagnetic full-wave solvers, providing a new paradigm for nanoelectronic computations at THz frequencies.
基于密度泛函理论的介电常数模拟在石墨烯中等离子体传播的创新全波模型
我们报告了一种从头算技术,用于模拟石墨烯在太赫兹范围内的电磁响应。量子力学计算使用线性响应密度泛函理论进行,并与从Kubo公式导出的半现象学模型进行了比较。我们提出了一种新的色散电导率概念,它超越了Kubo-Drude模型,并为复杂纳米系统中等离子体传播的分析提供了自洽的本构关系。本构关系的严格表征可以插入到电磁全波求解器中,为太赫兹频率下的纳米电子计算提供了一种新的范式。
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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