Elastic, magnetic and electronic properties of ferrimagnetic double perovskite Sr2MnWO6 using GGA + U and mBJ-GGA

Abstract

The present work performs self-consistent ab-initio calculation through full-potential linearized augmented plane wave (FP-LAPW) method within the frame work of the spin-polarized density functional theory (DFT), to study the structural, electronic, magnetic and elastic properties of the double perovskite Sr2MnWO6 using generalized gradient approximation (GGA) described by Perdew–Burke–Ernzerhof (PBE), GGA + U and mBJ-GGA. The obtained results show that Sr2WMnO6 is stable in the ferrimagnetic state; the electronic properties show a half-metallic behavior using GGA + U and mBJ-GGA. Elastic properties show that our compound is fragile, stiff and anisotropic.