First-principles calculation of magnetic, structural, dynamic, electronic, elastic, thermodynamic and thermoelectric properties of Co2ZrZ (Z = Al, Si) Heusler alloys
Saber Sâad Essaoud, Ahmed S. Jbara
Topics & Concepts
Condensed matter physicsMaterials scienceDebye modelThermoelectric effectSeebeck coefficientMagnetic momentWIEN2kDensity functional theoryLattice constantElectronic band structureElectronic structureThermodynamicsPhysicsLocal-density approximationChemistryComputational chemistryDiffractionOpticsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials