Optimization of electronic and optical properties of transition metal doped ZnO By DFT+U method and supported by experimental findings
Muhammad Ramzan, M. A. Moiz, Abdullah Mumtaz, Muhammad Babar Khalid, Syed Wilayat Husain
Topics & Concepts
PseudopotentialMaterials scienceDensity functional theoryDopantDopingBand gapPlane waveTransition metalElectronic structureElectronic band structureLattice constantHybrid functionalCondensed matter physicsPhysical chemistryComputational chemistryOptoelectronicsOpticsDiffractionCatalysisChemistryBiochemistryPhysicsZnO doping and propertiesGa2O3 and related materialsChalcogenide Semiconductor Thin Films