The effects of cation and halide anion on the electronic and optical properties of Ti-based double perovskite: A first-principles calculations
Diwen Liu, Guangshan Yao, Shaofei Jin, Jianming Chen, Benyong Lou, Qiaohong Li, Rongjian Sa
Topics & Concepts
HalideBand gapPerovskite (structure)DopingDirect and indirect band gapsIonMaterials scienceElectronic structureElectronic band structureChemistryInorganic chemistryChemical physicsOptoelectronicsComputational chemistryCondensed matter physicsCrystallographyPhysicsOrganic chemistryPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin Films2D Materials and Applications