First-principles prediction of structural, elastic, electronic and thermodynamic properties of the cubic SrUO3-Perovskite

摘要

In this paper, we investigate bulk properties of the cubic SrUO3-Perovskite in their nonmagnetic (NM), antiferromagnetic (AFM) and ferromagnetic (FM) states using all-electron self consistent Full Potential Augmented Plane Waves plus local orbital (FP-(L)APW + lo) method within PBEsol Generalized Gradiant density approximations.