Density functional study of structural, electronic and optical properties of bromine-doped CsPbI3 with the tetragonal symmetry
Zhonghai Lin, Jiayi Lei, Pingjian Wang, Xiaoxiao Zhang, Ling Xu, Mingyu Chen, Yunxin Kang, Guangfen Wei
Topics & Concepts
Tetragonal crystal systemDensity functional theoryBand gapDopingMaterials scienceOctahedronPerovskite (structure)Electronic structureDirect and indirect band gapsCrystal structureSemiconductorElectronic band structureCrystal (programming language)Condensed matter physicsCrystallographyChemical physicsChemistryComputational chemistryOptoelectronicsPhysicsComputer scienceProgramming languagePerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyOptical properties and cooling technologies in crystalline materials