Ab initio study of structural, electronic, mechanical and optical properties of the tetragonal Cs2AgBiBr6 halide double perovskite
Tahar Bellakhdar, Z. Nabi, Badra Bouabdallah, Boucif Benichou, Hamza Saci
Topics & Concepts
Tetragonal crystal systemAb initioAnisotropyAb initio quantum chemistry methodsCondensed matter physicsBand gapElectronic band structureMaterials scienceHalidePerovskite (structure)Electronic structureChemistryCrystallographyComputational chemistryOpticsCrystal structureOptoelectronicsPhysicsMoleculeInorganic chemistryOrganic chemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyHeusler alloys: electronic and magnetic properties