Etude ab-initio du ferromagnétisme dans l’AlN dopé au Ce.

Abstract

The possibility of doping the semiconductor with magnetic elements has created a new class of materials called diluted magnetic semiconductors (DMS). These materials have attracted much attention because of their potential applications in spintronics. This Works entres with in the Framework of the diluted magnetic Semiconductors (DMS). In the first part we studied a binary semiconductor AlN by using the method of the Functional calculus of Density (DFT). By using the Approximation of the Generalized Gradient (GGA), we determined the structural and electronic properties of AlN. The results are in very good agreement with the experimental values and other theoretical calculations. In a second part, we studied the structural, electronic and magnetic properties of the diluted magnetic semiconductors (DMS) 􀜣􀝈􀜥􀝁􀜰 in the structure würtzite (3.125% doped Ce). We found that our super cell can be given one magnetic moment in concord with the other theories. The results obtained are very satisfactory and we can only testify to the reliability of code VASP and the power of the method of the Generalized Gradient (GGA_PW91). This encourages us to study AlN doped by other magnetic elements with high concentration.