Estudio de las propiedades electrónicas y plasmónicas de nanocintas de grafeno mediante un modelo semi-analítico

Abstract

Presenting an analysis on the electronic and plasmonic process of graphene nanoribbons of different bandwidths such as the following 2.7 nm; 10nm; 100nm; 200 nm, for which an exhaustive ab initio investigation is practically unfeasible. The approach is based on a semi-analytical model, a physical computational method whose free and only parameter is the speed of the charge carrier, which is estimated through calculations of the Density Functional Theory in graphene developed in the Computational Physics laboratories from ESPOCH. The implemented methodology quantitatively demonstrates that the field energies depend on the concentration of charge carriers, the width of the ribbon, the relaxation rate of the electrons and the angle of moment transferred in the plane. The methodology managed to determine that the electronic properties are established from the calculation of band energies, the bandgap, the effective mass, and the dispersion of the unoccupied band. The conclusions were that the plasmonic properties are consistent with the DFT calculations in plasmons, specifically it was demonstrated that regardless of the width of the nanoband, the plasmonic energy depends on the charge carrier of the graphene nanobands.