Electronic, mechanical, vibrational and thermodynamic properties of FeXSb (X = Hf and Nb) Half-Heusler alloys from first-principles approach
A.A. Musari
Topics & Concepts
Debye modelMaterials scienceCondensed matter physicsDensity functional theoryThermodynamicsHeat capacityLattice constantAlloyPhononAb initioThermoelectric effectBand gapMagnetic momentBrillouin zoneInternal energyDensity of statesComputational chemistryChemistryMetallurgyPhysicsDiffractionOpticsOrganic chemistryHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesSemiconductor materials and interfaces