Structural, thermal, elastic, electronic and magnetic properties of cubic lanthanide based perovskites type oxides PrXO3 (X = V, Cr, Mn, Fe): insights from ab initio study
Mohammed El Amine Monir, Fatima Zohra Dahou
Topics & Concepts
WIEN2kCurie temperatureMagnetic momentDensity functional theoryFerromagnetismCondensed matter physicsAb initio quantum chemistry methodsAb initioMaterials scienceElectronic structureLocal-density approximationChemistryComputational chemistryPhysicsMoleculeOrganic chemistryHeusler alloys: electronic and magnetic propertiesMagnetic and transport properties of perovskites and related materialsPerovskite Materials and Applications