Optoelectronic properties of Sb doped GaAs: DFT investigation

In this work, we have used first-principles calculations based on Density Functional Theory (DFT) has been used to explore the basic properties of GaAs semiconductor compounds doped with Sb. For these compounds optical and electronic characteristics were calculated. The investigated material has been tested for doped optical characteristics and energy band gap. The electronic and optical characteristics of GaAs_xSb_1-x compounds doped with antimony (Sb) at fixed compositions (x = 0.5 and 1.0) have not been thoroughly investigated in the body of research currently in publication. It is hoped that this work will help with the application of these materials in different kinds of devices. As such, our attention was focused on the analysis of these traits.