First-principles investigation of lead-free Rb<sub>3</sub>SbX<sub>6</sub> (X = F, Cl, Br, I) mixed-halide double perovskites promising for photovoltaics and scintillation
Muhammad Awais Jehangir, Muhammad Yar Khan, Muhammad Noman, It Ee Lee, Qamar Wali, Tariq Usman, Mu Yang, Abdullah Al Souwaileh
Abstract
Schematic overview of the structural, electronic, optical, and thermodynamic properties of Rb 3 SbX 6 double perovskites for advanced optoelectronic applications.
Topics & Concepts
Band gapMaterials scienceThermal expansionDensity functional theoryScintillationDirect and indirect band gapsDielectricRefractive indexDensity of statesValence (chemistry)Ionic bondingGibbs free energyAttenuation coefficientElectronic band structureBulk modulusChemistryMolecular physicsOptoelectronicsLattice constantCondensed matter physicsDiffractionIonic radiusThermalYield (engineering)SemimetalOpticsChemical physicsAbsorption (acoustics)Thermal stabilityThermal conductionElectronic structurePerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyChalcogenide Semiconductor Thin Films