First-Principles Investigation of Structural, Elastic, Thermoelectric, Electronic, and Optical Properties of Ordered Double Perovskite Ba2MWO6 (M = Mg, Zn, and Cd)
A. Harbi, M. Moutaabbid
Topics & Concepts
Materials scienceThermoelectric effectCondensed matter physicsLattice constantShear modulusBulk modulusDensity functional theoryAnisotropyBand gapFigure of meritElastic modulusElectronic structureSeebeck coefficientRefractive indexElectronic band structureDirect and indirect band gapsPerovskite (structure)ThermodynamicsCrystallographyOpticsComputational chemistryComposite materialDiffractionChemistryPhysicsOptoelectronicsHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and Devices