Study the effect of magnesium doping concentration on structural and optoelectronic response of NaCa1-xMgxF3 fluoro-perovskite: First-principles computation
I. Zeba, R. Kiran, M. Shakil, Muhammad Rafique, Riaz Ahmad, S.S.A. Gillani
Topics & Concepts
PseudopotentialMaterials scienceMagnesiumDopingBand gapPerovskite (structure)Density functional theoryElectronic band structureElectronic structureDirect and indirect band gapsCondensed matter physicsDiffractionPlane waveCrystal (programming language)Crystal structureElectronOpticsCrystallographyComputational chemistryOptoelectronicsPhysicsChemistryProgramming languageComputer scienceMetallurgyQuantum mechanicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesGa2O3 and related materials