Exploring the structural, electronic and optical properties of Rb2InGaCl6 and Rb2InGaF6 double perovskite compounds for high-energy applications: a DFT-based investigation
Saima Ahmad Shah, Mudasser Husain, Vineet Tirth, Muhammad Uzair, Nasir Rahman, Afraa Alotaibi, Aurangzeb Khan
Topics & Concepts
Optical conductivityMaterials scienceWIEN2kAbsorption (acoustics)SemiconductorBand gapOptoelectronicsInsulator (electricity)Electronic structurePerovskite (structure)Structural stabilityElectronic band structureCondensed matter physicsPhysicsCrystallographyChemistryComposite materialEngineeringStructural engineeringLocal-density approximationPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesSolid-state spectroscopy and crystallography