The Structural, Electronic, Magnetic, Mechanical, and Lattice Dynamical Properties of the Novel Full-Heusler Alloys Mn2HfX (X = Si and Ge): Ab Initio Study
Mohamed Lamine Belkhir, Ahmed Gueddouh, Fares Faid, Mourad Rougab
Topics & Concepts
WIEN2kCondensed matter physicsLattice constantSpintronicsMaterials scienceMagnetic momentHeusler compoundAb initioFermi levelElectronic structureAb initio quantum chemistry methodsBulk modulusBand gapElectronFerromagnetismPhysicsLocal-density approximationQuantum mechanicsDiffractionMoleculeHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices