Optical Properties of BN and BBi Compounds

Abstract

We have investigated optical properties which are very important for optoelectronic devices, such as laser modulators, photo detectors, optical amplifier and high efficient solar cells of BN and BBi using the density functional theory based on full potential linearized augmented plane wave method as implemented in Vienna ab-initio simulation package (VASP). The exchange correlation potential is treated by generalized gradient approximation. Primarily, we have calculated the equilibrium lattice constant (a(0)) of BN and BBi. Our results for a(0) are 3.6264 angstrom and 5.5243 angstrom for BN and BBi, respectively. These results fairly coincide with theoretical and experimental studies. Then, we have calculated the optical parameters (dielectric functions, absorption and refractive index, reflectivity, energy loss function and conductivity) of BN and BBi which is directly related to the energy band structure of the material.