Investigation of electronic, optical and thermoelectric properties of perovskite BaTMO3 (TM=Zr, Hf): First principles calculations
Said M. Al Azar, Ibrahim Al-Zoubi, Ahmad A. Mousa, Riad S. Masharfe, Emad K. Jaradat
Topics & Concepts
Seebeck coefficientDensity functional theoryThermoelectric effectCondensed matter physicsBand gapMaterials sciencePlane waveElectronic band structureElectronic structurePerovskite (structure)Direct and indirect band gapsChemistryThermodynamicsComputational chemistryPhysicsOpticsCrystallographyHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and Devices