Lithium doping effect on structural, electronic and optical properties of KCaF3 fluoroperovskite: DFT insights using GGA-PBE
Ayesha Tariq, Muhammad Bilal Tahir, A. Dahshan, Bilal Ahmed, Muhammad Sagir
Topics & Concepts
Band gapDopingDensity functional theoryLithium (medication)Atom (system on chip)Electronic structureElectronic band structureLithium atomDensity of statesCondensed matter physicsMaterials scienceDirect and indirect band gapsChemistryComputational chemistryOptoelectronicsIonPhysicsIonizationEndocrinologyEmbedded systemComputer scienceMedicineOrganic chemistryPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesZnO doping and properties