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Role of magnetism in the formation of a short-range order in iron-silicon alloys
Authors:O I Gorbatov  A R Kuznetsov  Yu N Gornostyrev  A V Ruban  N V Ershov  V A Lukshina  Yu P Chernenkov  V I Fedorov
Institution:1.Institute of Quantum Materials Science,Yekaterinburg,Russia;2.Institute of Metal Physics, Ural Branch,Russian Academy of Sciences,Yekaterinburg,Russia;3.Royal Institute of Technology (KTH),Stockholm,Sweden;4.Petersburg Nuclear Physics Institute,Russian Academy of Sciences,Gatchina,Russia
Abstract:The formation of a short-range order in soft magnetic Fe-Si alloys depending on the annealing temperature has been investigated theoretically and experimentally. The B2-type short-range order has been observed in samples quenched from temperatures T > T C (where T C is the Curie temperature) with the content c Si close to the boundary of the two-phase region. Annealing at temperatures T < T C for the content c Si ≥ 0.08 leads to an increase in the fraction of regions with the D03-type short-range order. The mechanism of the formation of the short-range order in Fe-Si solid solutions has been analyzed by the Monte Carlo simulation with the ab initio calculated interatomic interaction parameters. It has been shown that the energy of the effective Si-Si interaction in bcc iron strongly depends on the magnetic state of the matrix. As a result, the B2-type short-range order is formed at T > T C and is fixed at quenching, whereas the D03-type shortrange order is equilibrium in the ferromagnetic state. The results reveal the decisive role of magnetism in the formation of the short-range order in Fe-Si alloys and allow the explanation of the observed structural features of the alloys depending on the composition and temperature.
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