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arXiv 2004.09851cond-mat.mes-hallphysics.chem-phphysics.comp-ph
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石墨烯等离子体:一种新的全原子方法用于真实结构

Graphene Plasmonics: a Novel Fully Atomistic Approach for Realistic Structures

Tommaso Giovannini, Luca Bonatti, Marco Polini, Chiara Cappelli

摘要:

我们证明了现实的石墨烯和石墨烯基材料的等离子体性质可以有效地和准确地建模一种新的,完全原子的,但经典的方法,命名为$ω$ FQ。这种模型能够再现这些材料的所有等离子体特征,以及它们对形状、尺寸和基本物理参数(费米能、弛豫时间和二维电子密度)的依赖性。值得注意的是,$ω$ FQ能够准确地再现数百纳米($\sim$ 370.000原子)的真实结构的实验数据,这是任何\emph{ab-initio}方法都无法提供的。此外,原子性质的$ω$ FQ允许调查复杂的形状,这很难处理利用广泛的连续体方法。

英文摘要:

We demonstrate that the plasmonic properties of realistic graphene and graphene-based materials can effectively and accurately be modeled by a novel, fully atomistic, yet classical, approach, named $ω$FQ. Such model is able to reproduce all plasmonic features of these materials, and their dependence on shape, dimension and fundamental physical parameters (Fermi energy, relaxation time and two-dimensional electron density). Remarkably, $ω$FQ is able to accurately reproduce experimental data for realistic structures of hundreds of nanometers ($\sim$ 370.000 atoms), which cannot be afforded by any \emph{ab-initio} method. Also, the atomistic nature of $ω$FQ permits the investigation of complex shapes, which can hardly be dealt with by exploiting widespread continuum approaches.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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