First-principles calculations to investigate structural, electronics, mechanical, and optical properties of KGaO3 cubic perovskite for photocatalytic water-splitting application
Shoukat Hussain, Jalil Ur Rehman
Topics & Concepts
CASTEPMaterials scienceBand gapShear modulusBulk modulusRefractive indexDirect and indirect band gapsDielectricCondensed matter physicsComposite materialOptoelectronicsPhysicsPerovskite Materials and ApplicationsZnO doping and propertiesMultiferroics and related materials