Structural and optical properties of GaAs and InAs for doping Sb under the effect of pressure and temperature: DFT and EPM investigations

Abstract

We have developed first-principles calculations utilizing the empirical pseudopotential method and density functional theory to examine the basic behaviors of the GaAs and InAs semiconductor compounds for doped Sb. The electronic and optical responses of these compounds were calculated. We examined the impacts of the temperature and pressure with the energy band forbidden and parameters of optical parameters (static dielectric constant) of the considered compounds. The literature hasn’t fully analyzed the electronic and optical characteristics of the compounds with doping Sb under the impact of pressure and temperature for fixed composition (x = 0.5). So, we concentrated on the study of these properties.