CASTEP investigation of structural, electronic, and optical properties of halide perovskites RbXCl3 (X = Ge, Sn, Pb) for solar cell applications
Muhammad Usman Ghani, Muhammad Sagir, Muhammad Bilal Tahir, H.I. Elsaeedy, Saima Nazir, Hussein Alrobei, Meshal Alzaid
Topics & Concepts
CASTEPDensity functional theoryBand gapMaterials scienceDielectricDirect and indirect band gapsCondensed matter physicsDensity of statesElectronic band structureOptoelectronicsChemistryComputational chemistryPhysicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography