Predicting and understanding the structural stability, origin of half-metallic magnetic nature, and study of opto-electronic properties of Cs2KXCl6: X = Ti and V double perovskites
Suhail A. Dar, Basharat Want
Topics & Concepts
Condensed matter physicsDensity functional theorySpintronicsMagnetismMagnetic momentFerromagnetismMaterials scienceWIEN2kFermi levelSpin polarizationElectronic structureElectronic band structureDirect and indirect band gapsBand gapHalf-metalDensity of statesLocal-density approximationChemistryPhysicsComputational chemistryElectronQuantum mechanicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesSolid-state spectroscopy and crystallography