FIRST PRINCIPLES STUDY OF STRUCTURAL, MAGNETIC AND ELECTRONIC PROPERTIES OF Sr2MgWO6 DOUBLE PEROVSKITE

Abstract

ABSTRACT Density functional theory (DFT) within the generalized gradient approximation (GGA) is used in order to investigate structural, magnetic and electronic properties of Sr2MgWO6 double perovskite. Our theoretical calculations successfully reproduce the experimental results of lattice parameter, and predicted that Sr2MgWO6 has a non-metallic non-magnetic ground state