Investigation of Pressure-Dependent Electronic and Optical Properties of Double Perovskites Cs2AgXY6 (X = Bi, In; Y = Cl, Br)
Shakeel Shakeel, Peng Song, Hessa A. Alsalmah, G. Murtaza, Taihong Huang
Topics & Concepts
Density functional theoryBand gapIonic bondingMaterials scienceElectronic band structureCovalent bondLattice constantAmbient pressureDensity of statesDirect and indirect band gapsElectronic structurePerovskite (structure)Condensed matter physicsChemistryIonCrystallographyComputational chemistryOptoelectronicsOpticsDiffractionThermodynamicsPhysicsOrganic chemistryPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic properties2D Materials and Applications