L’effet de la corrélation sur la structure électronique des composés intermétallique de typeRECo2 (RE=Gd et Eu) étude de premier principe.

Abstract

Polar intermetallic type Laves phases play in recent years a very important role in the field of metallurgy, and subject to a large number of works related among other things to their crystal chemistry and stability of their structures. In this thesis we used a simulation study and ab initio based on the DFT, to examine the structural stability, electronic structures that allow us to determine the nature of chemical bonds present and to appreciate the mechanical properties of these compounds RECo2 (RE :Eu and Gd).