Ab Initio Study of the Properties of Ti2PdFe(Ru)Sb2 Double Half-Heusler Semiconducting Alloys
Mohamed Diaf, H. Righi, H. Rached, D. Rached, Raouf Beddiaf
Topics & Concepts
Thermoelectric effectAb initioCondensed matter physicsMaterials scienceSolid-state physicsLattice constantBoltzmann constantAb initio quantum chemistry methodsThermodynamicsThermoelectric materialsThermal conductivityElectrical resistivity and conductivitySeebeck coefficientChemistryPhysicsQuantum mechanicsDiffractionOrganic chemistryMoleculeAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic propertiesMachine Learning in Materials Science