Ab-initio investigation of the structural, electronic and optical properties of lead-free halide Cs2TiI6 double perovskites
A. Natik, Y. Abid, R. Moubah, M. Abid, H. Lassri
Topics & Concepts
HalideBand gapAb initioAb initio quantum chemistry methodsDirect and indirect band gapsChemistryElectronic structureAbsorption (acoustics)Electronic band structureAttenuation coefficientMaterials scienceComputational chemistryOptoelectronicsInorganic chemistryCondensed matter physicsOpticsMoleculePhysicsOrganic chemistryComposite materialPerovskite Materials and ApplicationsCrystal Structures and PropertiesSolid-state spectroscopy and crystallography