First-principle calculations to investigate structural, electronic, optical, thermodynamic, and thermoelectric properties of ABO3 (A=Cs, Rb and B= Ta, Nb) compounds
Saadi Berri, N. Bouarissa
Topics & Concepts
Thermoelectric effectMaterials scienceDebye modelSeebeck coefficientDensity functional theoryCondensed matter physicsThermodynamicsThermoelectric materialsElectronic structureChemistryComputational chemistryPhysicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films