Electronic structure and optical and thermoelectric response of lead-free double perovskite BaMgLaBiO6: a first-principles study
Junaid Munir, Muhammad Kamran Jamil, Ahmed S. Jbara, Hamid Ullah, Hudabia Murtaza, H. Elhosiny Ali, Quratul Ain
Topics & Concepts
WIEN2kMaterials scienceBand gapDensity functional theoryFigure of meritThermoelectric effectElectronic band structurePerovskite (structure)Electronic structureSeebeck coefficientIonic bondingOptical conductivityDensity of statesOptoelectronicsGround stateCondensed matter physicsLocal-density approximationThermal conductivityAtomic physicsComputational chemistryThermodynamicsChemistryPhysicsCrystallographyIonOrganic chemistryComposite materialPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesMagnetic and transport properties of perovskites and related materials