Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures

Abstract

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 ωFQ. Such a 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, ωFQ is able to accurately reproduce experimental data for realistic structures of hundreds of nanometers (∼370k atoms), which cannot be afforded by any ab initio method. Also, the atomistic nature of ωFQ permits the investigation of complex shapes, which can hardly be dealt with by exploiting widespread continuum approaches.