Ab-initio investigation of structural, electronic and optical properties of In xGa 1− xAs, GaAs 1− yP y ternary and In xGa 1− xAs 1− yP y quaternary semiconductor alloys

Abstract

The structural, electronic and optical properties of In x Ga 1 −x As, GaAs 1− y P y ternary and In x Ga 1 −x As 1− y P y quaternary semiconductor alloys are investigated using first-principles plane-wave pseudo-potential method within the LDA approximations. For these alloys lattice parameters, bulk modulus, band gap energy and density of states are calculated. Besides, we have calculated the optical parameters (dielectric functions, energy loss function, reflectivity, absorption and refractive index) of these semiconductor alloys. Our results agree well with the available theoretical and experimental data in the literature.