Abstract
The structural, electronic, optical and magnetic characteristics of cubic perovskite Sr1-xVxTiO3 at x = 0% 12.5%, 25%, 50% and 75% are explored by density functional theory based on full-potential linearized augmented plane-wave scheme. The stability of ferromagnetic phase is confirmed by the formation energy. The computed spin-resolved electronic band structure and density of states verify the semiconductor behavior of pristine STO while half-metallic ferromagnetic behavior of Sr1-xVxTiO3 at x = 12.5%, 25%, 50% and 75%. The magnetic moments of V-doped SrTiO3 at different concentrations are determined, which mainly come from the vanadium atom. Moreover, the optical factors such as reflectivity R(omega), absorption alpha(omega) and optical coefficients sigma(omega), refractive index n(omega) and dielectric function are computed. The obtained results suggest the application of V-doped STO for optical and spintronic gadgets.