First-principles investigations of Ba2NaIO6 double Perovskite semiconductor: Material for low-cost energy technologies
Samah Al‐Qaisi, Malak Azmat Ali, Tahani A. Alrebdi, Tuan V. Vu, Manal Morsi, Bakhtiar Ul Haq, R. Ahmed, Q. Mahmood, Sohail Afzal Tahir
Topics & Concepts
WIEN2kMaterials scienceDebye modelPerovskite (structure)Bulk modulusDensity functional theorySemiconductorBand gapShear modulusAuxeticsElectronic band structureDirect and indirect band gapsBrillouin zoneCondensed matter physicsOptoelectronicsLocal-density approximationComputational chemistryChemistryPhysicsComposite materialCrystallographyPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity