Effect of potassium on the structural, electronic, and optical properties of CsSrF3 fluro perovskite: First-principles computation with GGA-PBE
Hina Arif, Muhammad Bilal Tahir, Muhammad Sagir, Hussein Alrobei, Meshal Alzaid, Sami Ullah, Mohamed Hussien
Topics & Concepts
CASTEPMaterials scienceBand gapDensity functional theorySupercellPerovskite (structure)Condensed matter physicsDopingElectronic structureHybrid functionalDirect and indirect band gapsLocal-density approximationElectronic band structureOptoelectronicsComputational chemistryCrystallographyChemistryPhysicsComputer scienceTelecommunicationsRadarPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesMultiferroics and related materials