First-principles calculations to investigate the structural, electronic and optical properties of lead-free double perovskites Rb2SeI6 and K2SeI6
De‐Yuan Hu, Xian‐Hao Zhao, Tian‐Yu Tang, Limin Lu, Li Li, Li-Ke Gao, Yan-Lin Tang
Topics & Concepts
Band gapMaterials scienceSemiconductorEffective mass (spring–mass system)Electronic band structureDirect and indirect band gapsAbsorption (acoustics)Perovskite (structure)Electronic structureFree carrier absorptionOptoelectronicsAtomic orbitalValence (chemistry)ElectronMolecular physicsAtomic physicsCondensed matter physicsChemistryPhysicsCrystallographyOrganic chemistryQuantum mechanicsComposite materialPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And Properties