Ab initio study of the half-metallic full-Heusler compounds Co2ZAl [Z = Sc, Ti, V, Cr, Mn, Fe]; the role of electronic correlations
S. Nepal, Ramesh Dhakal, I. Galanakis
Topics & Concepts
PseudopotentialMaterials scienceMagnetic momentCondensed matter physicsElectronic structureHeusler compoundAb initioLattice constantBand gapAb initio quantum chemistry methodsPhysicsQuantum mechanicsDiffractionMoleculeOptoelectronicsOpticsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices