Effet des impuretés sur les propriétés physique de SmO

Abstract

The interest of this study is to deepen the study of the structural, electronic and magnetic properties of Samarium Oxide doped with the transition elements Mn , Fe , Co within the framework of the DFT The calculations were carried out using the calculations of first principle of the theory of the functional of the density and the potential of exchange and correlation was treated by approximation GGA-PBEsol. The lattice constant for compounds Sm0.75 X0.25 O (X= Mn, Fe and Co) decreases when passing through Mn Fe Co while the modulus of atoms while the bulk modulus increases. The spin states prove that the compounds Sm0.75 Co0.25 O exhibit a half-metallic character while Sm0.75 Fe 0.25O and Sm0.75 Mn0.25 O exhibits a metallic character We therefore conclude that Sm0.75 X 0.25O can be included in the field of spintronics