Paper Title
Elastic Properties and Band Gap Tuning of Cubic Perovskite SrHfO3: First-Principles Calculations for Solar Energy

Abstract
Perovskite-type oxides due to their electrochemical properties, have received great interests for their applications in semiconducting devices like MOSFET. Among them SrHfO3 with its 3.75 eV band gap and unique dielectric properties is of the most interesting perovskites. Density functional theory based first-principles calculations were used to study the mechanical and electronic properties of cubic SrHfO3 using projector-augmented wave pseudopotential with PBEsol approximation. Investigating electronic properties shows that band gap variation trend is reduced to 2.4 eV in room temperature. Keywords - Provskite, solar energy storing, Density Functional Theory; High order elastic constants; SrHfO3.