Electronic structure and optical properties of Sn2xGa2(1-x)O3 compounds

Band structure, density of states, electron density difference, and optical properties of intrinsic beta-Ga2O3 and Sn2xGa2(1-x)O3 (x=3.125%-6.25%) compounds are studied using first-principle calculations based on the density functional theory. The anisotropic optical properties are investigated by means of the complex dielectric function, which are explained by the selection rule of band-to-band transitions. All the calculation results indicate that the conductivity of Sn2xGa2(1-x)O3 is super to beta-Ga2O3, and the calculated results consist with experiments that have been reported.