New p-type sp-based half-Heusler compounds LiBaX(X = Si, Ge) for spintronics and thermoelectricity via ab-initio calculations
R. Bentata, S. Cherid, S. Terkhi, B. Bouadjemi, D. Chenine, M. Houari, M. Matougui, S. Bentata, Z. Aziz
Topics & Concepts
SpintronicsMaterials scienceCondensed matter physicsThermoelectric effectFerromagnetismLattice constantAb initioFigure of meritDensity functional theoryThermoelectric materialsHeusler compoundAb initio quantum chemistry methodsMagnetic momentThermodynamicsPhysicsComputational chemistryChemistryOptoelectronicsQuantum mechanicsDiffractionMoleculeHeusler alloys: electronic and magnetic propertiesBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials