Etude de l’effet d’insertion des éléments magnétique Fe, Cr, Co et Mn sur les alliages de type Cu3Al par les méthodes de premier principe.

Abstract

The shape memory alloy compounds are divided into two families. The family of Ni-Ti mainly crystallizes in cubic open lattice B2 (high temperature structure) and L10 tetragonal low temperature structure. And the family of Cu-Al which we have focused our work on, mainly crystallizing in the more compact cubic L12 or DO3 high temperature structures and orthorhombic 2H low temperature structures. So far, shape memory alloys have been used in the medical, automotive and marine industries. The research community in materials physics and experimental work has shown that these SMAs can be used in the electronics sector by replacing magnetic recording semiconductor components that deform with temperature (breakdown phenomenon). Since the Cu-Al family has no magnetic appearance, it has been proposed in this work to inject magnetic elements and using the first principle calculations based on the theory of DFT, to evaluate the structural, electronic, magnetic and mechanical properties of Cu3AlM-insertion and Cu3-xMxAlsubstitution where (M: Mn, Fe, Cr and Co).