A comparative study of the structural, electronic, and optical properties of Ca3SbCl3 halide perovskite using DFT-GGA and HSE06 functional for photovoltaic applications
Krishna Kumar Mishra, Rajnish Sharma
Topics & Concepts
Density functional theoryPerovskite (structure)Band gapMaterials scienceHybrid functionalHalideLattice constantPhotovoltaic systemDirect and indirect band gapsOptoelectronicsComputational chemistryCrystallographyChemistryOpticsDiffractionPhysicsInorganic chemistryBiologyEcologyPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography