Realization of half-metallic ferromagnetism and physical Property analysis in double perovskites A2FeHfO6(A=Mg, Ca, Ba, Ra) and A2FeZrO6(A =Mg, Ca, Ba): A first-principles study
Md. Mahbub Hossain, Mehrunnissa Khanom, Prianka Mondal, Farid Ahmed
Topics & Concepts
Condensed matter physicsFerromagnetismMaterials scienceIsotropyAnisotropyPhononDensity of statesElectronic band structureBand gapHeat capacityElectronic structureStructural stabilityDensity functional theoryDebye modelLattice (music)Fermi levelThermodynamicsThermal stabilityAbsorption spectroscopyPhysical propertySpectral lineElectronDirect and indirect band gapsElectronic correlationLattice constantFermi energyChemical stabilityFerromagnetic material propertiesDispersion (optics)Brillouin zoneEnthalpyAntiferromagnetismThermalBrittlenessDispersion relationEquation of stateMagnetic and transport properties of perovskites and related materialsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties