Revealing structural, elastic, electronic and optical properties of potential perovskites K2CuBiX6 (X=Br, Cl) based on first-principles
De‐Yuan Hu, Xian‐Hao Zhao, Tian‐Yu Tang, Limin Lu, Li Li, Li-Ke Gao, Yan-Lin Tang
Topics & Concepts
Band gapAbsorption (acoustics)SemiconductorOptoelectronicsMaterials scienceRange (aeronautics)Electronic structureUltravioletEffective mass (spring–mass system)Electronic band structureDirect and indirect band gapsChemistryCondensed matter physicsComputational chemistryPhysicsComposite materialQuantum mechanicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity