DFT calculations of opto-electronic, mechanical, thermodynamic, and transport properties of XCeO3 (X = Mg, Ca, and Ba) perovskite
Preeti Kumari, Ramesh Sharma, Hamid Ullah, Vipul Srivastava
Topics & Concepts
Seebeck coefficientBulk modulusThermoelectric effectDebye modelBand gapChemistryPerovskite (structure)ThermodynamicsCondensed matter physicsDirect and indirect band gapsThermoelectric materialsElectronic band structureCrystallographyPhysicsHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and Devices