Structural properties, electronic band structure, magnetic and mechanical characteristic of XFeGe (X = Co, Cr, Ni) half Heusler compounds: Insights from DFT calculation
Mohamed Lazizi, M. Harmel, M. Mokhtari, F. Dahmane, R. Khenata, N. Badi, A. Bouhemadou, T. Seddik, H. Khachai, S. Bin Omran
Topics & Concepts
Magnetic momentLattice constantDensity functional theoryFormula unitMaterials scienceDensity of statesCondensed matter physicsAlloyElectronic structureElectronic band structureThermodynamicsMetalHeat capacityCrystallographyChemistryComputational chemistryCrystal structureDiffractionPhysicsMetallurgyOpticsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices