First-principles study of structural, elastic, electronic and optical properties of cubic perovskite AgXF3 (X = Be, Mg, Ca and Sr) compounds
Jiang-Hao Yu, Shanjun Chen, Yan Chen, Jie Hou, Li Song, Zaifa Shi
Topics & Concepts
Materials scienceBand gapLattice constantSemiconductorValence (chemistry)Direct and indirect band gapsElectronic structureRefractive indexElectronic band structurePerovskite (structure)Condensed matter physicsFermi levelDielectricAnalytical Chemistry (journal)ElectronCrystallographyOpticsOptoelectronicsDiffractionChemistryPhysicsChromatographyOrganic chemistryQuantum mechanicsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsThermal Expansion and Ionic Conductivity