ELECTRONIC-STRUCTURE OF DISORDERED ALPHA-FEMN ALLOYS

Cluster calculations were performed with the first-principles discrete variational method, in the LSD approximation and spin-polarized case, to investigate the electronic structure of the ferromagnetic disorder ed alpha-FeMn alloys. We investigated the effect on the local magnetic properties at iron sites of the introduction of Mn atoms in their fir st and second neighborhoods. The calculated magnetic moment and hyperf ine magnetic field (H-c) for an isolated Mn atom in a bce iron host we re obtained as -3.15 mu(B) and -230 kG, respectively, in good agreemen t with experimental results.