Structural, elastic, optoelectronic, and transport properties of Na-based halide double perovskites Na2CuMX6 (M = Sb, Bi, and X = Cl, Br) as renewable energy materials: A DFT insight
Ahmad Ayyaz, G. Murtaza, Muhammad Umer, Ahmad Usman, Hafiz Hamid Raza
Topics & Concepts
Materials scienceWIEN2kBand gapDirect and indirect band gapsThermoelectric effectHalideAbsorption (acoustics)Structural stabilityElectronic band structureOptoelectronicsElectronic structureCondensed matter physicsThermodynamicsInorganic chemistryLocal-density approximationChemistryPhysicsEngineeringStructural engineeringComposite materialPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties