Competition between magnetic structures in the Fe-rich fcc FeNi alloys

POSTER

Abstract

We report on the results of a systematic \textit{ab initio} study of the magnetic structure of Fe rich fcc FeNi binary alloys for Ni concentrations up to 50 at. {\%}. Calculations are carried out within density functional theory using two complementary techniques, one based on the Exact Muffin-Tin Orbital theory within the coherent potential approximation and another one based on the Projector Augmented-Wave method. We observe that the evolution of the magnetic structure of the alloy with increasing Ni concentration is determined by a competition between a large number of magnetic states, collinear as well as non-collinear, all close in energy. We emphasize a series of transitions between these magnetic structures, in particular we have investigated a competition between disordered local moment configurations, spin spiral states, the double layer antiferromagnetic state, and the ferromagnetic phase, as well as the ferrimagnetic phase with a single spin flipped with respect to all others. We show that the latter should be particularly important for the understanding of the magnetic structure of the Invar alloys.

Authors

  • Igor Abrikosov

    Department of Physics, Chemistry and Biology, Linkoping University, Sweden

  • Andreas Kissavos

    Department of Physics, Chemistry and Biology, Linkoping University, Sweden

  • Francois Liot

    Department of Physics, Chemistry and Biology, Linkoping University, Sweden

  • Bjorn Alling

    Department of Physics, Chemistry and Biology, Linkoping University, Sweden

  • Sergei Simak

    Department of Physics, Chemistry and Biology, Linkoping University, Sweden, Theory and Modeling Division, Department of Physics, Chemistry and Biology (IFM), Link\"oping University, S-581 83, Link\"oping, Sweden

  • Oleg Peil

    Applied Materials Physics, Royal Institute of Technology, Sweden

  • Andrei Ruban

    Applied Materials Physics, Royal Institute of Technology, Sweden, Royal Institute of Technology, Stockholm, SE-10044, Sweden