Fine band gap tuning via Sr incorporated PbTiO3 for optoelectronic application: a DFT study
Muhammad Rizwan, Hamza Naeem, Hafiz Muhammad Naeem Ullah, Zahid Usman, N. Amjed, Мuhammad Abid
Topics & Concepts
CASTEPBand gapMaterials scienceRefractive indexAb initioElectronic band structureCondensed matter physicsLocal-density approximationDensity functional theoryAtomic orbitalDensity of statesElectronic structureOptoelectronicsComputational chemistryPhysicsChemistryQuantum mechanicsElectronGa2O3 and related materialsZnO doping and propertiesFerroelectric and Piezoelectric Materials