First-principles study of structural, elastic, optoelectronic and thermoelectric properties of B-site-ordered quadruple perovskite Ba4Bi3NaO12
Mohamed Khuili, Malak Bounbaâ, Nejma Fazouan, Hassna Abou Elmakarim, Yassine Sadiki, Samah Al‐Qaisi, Isam Allaoui, E. Maskar, El Hadi Chahid, Kenza Maher, El Hassan Abba
Topics & Concepts
Thermoelectric effectPerovskite (structure)Figure of meritMaterials scienceDensity functional theoryElectronic structureFermi levelDopingSemiconductorThermoelectric materialsBand gapCondensed matter physicsOptoelectronicsElectronic band structureAbsorption (acoustics)CrystallographyChemistryComputational chemistryPhysicsComposite materialThermodynamicsQuantum mechanicsElectronPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesMagnetic and transport properties of perovskites and related materials