Ab Initio Study of Fundamental Properties of Sr2GdReO6 Compound

The present work describes a new class of spintronic materials. The material shows half-metallic nature at ambient conditions.The material has not been exploited theoretically, it is the first attempt to predict the ab initio calculations of the structural, electronic, optic, magnetic properties and some thermodynamic parameters in a wide range of pressures and temperatures are reported for the Sr2GdReO6 double perovskite properties by ab-initio method.