Study of electronic, optical and photovoltaic properties of lead-free double perovskite Cs2AgXBr6 (X = Bi, Sb): An ab initio calculations
M. Kmichou, R. Masrour, Ling Xu, E.K. Hlil, A. Rezzouk
Topics & Concepts
Ab initioBand gapDensity functional theoryAb initio quantum chemistry methodsMaterials scienceDielectricQuantum efficiencyElectronic band structurePhotovoltaic systemElectronic structureAbsorption (acoustics)Perovskite (structure)Attenuation coefficientChemistryCondensed matter physicsOptoelectronicsMolecular physicsComputational chemistryOpticsPhysicsMoleculeComposite materialEcologyCrystallographyOrganic chemistryBiologyPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyThermal Expansion and Ionic Conductivity