First principle study of the structural and optoelectronic properties of direct bandgap double perovskite Cs2AgInCl6
Nishitha P. Mathew, Neetesh Kumar, R. Radhakrishnan
Topics & Concepts
Band gapDensity functional theoryPerovskite (structure)HalideMaterials scienceDirect and indirect band gapsElectronic band structureHybrid functionalOptoelectronicsFirst principleLattice constantCondensed matter physicsComputational chemistryOpticsChemistryPhysicsCrystallographyDiffractionInorganic chemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyChalcogenide Semiconductor Thin Films