Prediction of structural, electronic, mechanical, thermal, and thermoelectric properties in PbMO3 (M = Sb, Bi) perovskite compounds: a DFT study
Shiv Bahadur Patel, Anshuman Srivastava, Ramesh Sharma, Jisha Annie Abraham, Vipul Srivastava
Topics & Concepts
Debye modelThermoelectric effectMaterials scienceThermodynamicsLattice constantSeebeck coefficientThermal expansionThermal conductivityDensity functional theoryPerovskite (structure)Bulk modulusIonic bondingCondensed matter physicsHeat capacityChemistryComputational chemistryPhysicsComposite materialCrystallographyIonOrganic chemistryDiffractionOpticsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic ConductivityAdvanced Thermoelectric Materials and Devices