CONTRIBUTION A L'ÉTUDE DES PROPRIÉTÉS PHYSICOCHIMIQUES DES ALLIAGES D'HEUSLER

Abstract

By mean of different numerical methods, many theoretical studies predict several intermetallic Heusler compounds to be half metals at room temperature. This class of materials is usually in base of spintronic applications or devices, where a relatively high Curie temperature is required in this field of applications, and 100% spin polarization at Fermi level is desirable. This kind of compounds is classified in two categories: Half-Heusler and Full-Heusler, according to several crystallographic structures and magnetic orders. Among those compounds, a ferromagnetic class based on cobalt (Co) is promising, which received an importance attention in several theoretical studies. In this work, we have used the ab initio method in order to explore structural, elastic, mechanic, electronic, magnetic and thermodynamic properties of compounds based on Co, Rh, Ru and NiMn(Sn,Sb) Half-Heusler.