Plasmonic physics of 2D crystalline materials

Abstract

Collective modes of doped two-dimensional crystalline materials, namely graphene, MoS2 and phosphorene, both monolayer and bilayer structures, are explored using the density functional theory simulations together with the random phase approximation. The many-body dielectric functions of the materials are calculated using an ab initio based model involving material-realistic physical properties. Having calculated the electron energy-loss, we calculate the collective modes of each material considering the in-phase and out-of-phase modes for bilayer structures. Furthermore, owing to many band structures and intreband transitions, we also find high-energy excitations in the systems. We explain that the material-specific dielectric function considering the polarizability of the crystalline material such as MoS2 are needed to obtain realistic plasmon dispersions. For each material studied here, we find different collective modes and describe their physical origins.