Stability, electronic, thermodynamic, and optical aspects of CsPbIBr(x=0, 1, 2, 3) compounds: An ab-initio study
Susan Sadat Ahamdi, Peiman Amiri
Topics & Concepts
Tetragonal crystal systemBand gapOptical conductivityChemistryRefractive indexAbsorption (acoustics)Direct and indirect band gapsAb initio quantum chemistry methodsSemiconductorAb initioElectronic band structureHalideElectronic structureMaterials scienceCondensed matter physicsCrystallographyOptoelectronicsComputational chemistryPhysical chemistryCrystal structureInorganic chemistryPhysicsComposite materialOrganic chemistryMoleculePerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography