Theoretical investigations of electronic structure and optical properties of S, Se or Te doped perovskite ATiO3 (A=Ca, Ba, and Sr) materials for eco-friendly solar cells
B. Mouhib, S. Dahbi, A. Douayar, N. Tahiri, O. El Bounagui, H. Ez‐Zahraouy
Topics & Concepts
DopingChalcogenDensity functional theoryMaterials scienceBand gapPerovskite (structure)Electronic structureSemiconductorElectronic band structureAtomic orbitalAbsorption (acoustics)OptoelectronicsCondensed matter physicsComputational chemistryChemistryCrystallographyPhysicsElectronQuantum mechanicsComposite materialPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityChalcogenide Semiconductor Thin Films