Berlin 2015 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 20: Poster IA (Ultrafast phenomena; Optical properties; Transport; Theory)

HL 20.21: Poster

Montag, 16. März 2015, 15:00–20:00, Poster B

Effect of B/N co-doping on optical properties of Graphene — •Pooja Goyal — Dep. of Physics, Panjab University, Chandigarh — DAV College Chandigarh

Ab-initio calculations based on density functional theory (DFT) have been performed to study the optical properties of pure graphene as compared BN co-doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 6.25 % (one atom of the dopant in 32 host atoms) to 75 % for BN co-doping also varying the doping sites. The dielectric function has been calculated within the random phase approximation (RPA) using VASP (Vienna ab-initio Simulation Package) code. The dielectric function, absorption spectrum and energy loss-function of single layer graphene sheet have been calculated for light polarization parallel and perpendicular to the plane of graphene sheet and compared with doping graphene. The calculated dielectric functions and energy-loss spectra are in reasonable agreement with the available theoretical and experimental results. It has been found that there is significant red shift in absorption towards visible range of the radiation at high doping concentration. The results suggest further investigations in this direction for application of graphene in photonics in visible region of light.