Theoretical investigation of structural, electronic, and optical properties of halide cubic perovskite CsPbBr3-xIx
Abdessamad Najim, Bouchaíb Hartiti, H. Absike, Hervé Joël Tchognia Nkuissi, H. Labrim, Salah Fadili, Philippe Thévenin, Mehmet Ertuğrul
Topics & Concepts
Materials scienceBand gapPerovskite (structure)Density functional theoryLattice constantDirect and indirect band gapsDielectricElectronic structureWIEN2kElectronic band structureHalidePlane waveCondensed matter physicsLocal-density approximationComputational chemistryCrystallographyOptoelectronicsOpticsDiffractionChemistryInorganic chemistryPhysicsPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyChalcogenide Semiconductor Thin Films