Oleg I. Gorbatov, Yuri N. Gornostyrev, Andrey R. Kuznetsov, Andrei V. Ruban

PTM 2010, June 6-11, 2010, Avignon, France

Submitted in Solid state phenomenon

Short range order formation in dilute Fe-Si and Fe-Al alloys has been investigated in statistical thermodynamics simulations by Monte Carlo method with effective interactions deduced from first principles calculations for different global magnetic states. We find that the variation of the magnetic order from ferromagnetic to paramagnetic leads to significant changes in effective interactions and corresponding short range order parameters. It is shown that the B2 type of the short range order is formed above the Curie temperature while the D0₃ type of the short range order is preferred below T_C.

Short range order (SRO) parameter in Fe-Si (left) and Fe-Al (right) alloys for different temperatures as below as well above Curie temperature.