论文标题
石墨烯等化性：一种新颖的现实结构的完全原子化方法
Graphene Plasmonics: a Novel Fully Atomistic Approach for Realistic Structures
论文作者
论文摘要
我们证明，逼真的石墨烯和基于石墨烯的材料的等离子体性能可以有效，准确地通过一种新型，完全原子但经典的方法来建模，称为$ω$ fq。这种模型能够重现这些材料的所有等离子特征，以及它们对形状，尺寸和基本物理参数（费米能量，放松时间和二维电子密度）的依赖性。值得注意的是，$ω$ FQ能够准确地重现数百种纳米（$ \ sim $ 370.000原子）的现实结构的实验数据，这些结构是由任何\ emph {ab-initio}方法无法提供的。此外，$ω$ FQ的原子性质允许对复杂形状进行调查，这几乎无法通过利用广泛的连续性方法来处理。
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.
