First-principles calculations to investigate structural, elastic, electronic and optical properties of lead-free perovskite derivatives Cs2SeX6 (X=Cl, Br, I)
De‐Yuan Hu, Xian‐Hao Zhao, Tian‐Yu Tang, Li Li, Li-Ke Gao, Yan-Lin Tang
Topics & Concepts
Perovskite (structure)Lead (geology)Materials scienceChemical physicsChemistryCrystallographyThermodynamicsPhysical chemistryComputational chemistryCondensed matter physicsPhysicsGeologyGeomorphologyPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography