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The semiconductor-to-ferromagnetic-metal transition in FeSb2
Authors:A. V. Lukoyanov  V. V. Mazurenko  V. I. Anisimov  M. Sigrist  T. M. Rice
Affiliation:1. Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620041, Yekaterinburg, Russia
2. Ural State Technical University-UPI, 620002, Yekaterinburg, Russia
3. Institut für Theoretische Physik, ETH-H?nggerberg, 8050, Zürich, Switzerland
Abstract:
We propose FeSb2 to be a nearly ferromagnetic small gap semiconductor, hence a direct analog of FeSi. We find that despite different compositions and crystal structures, in the local density approximation with on-site Coulomb repulsion correction (LDA+U) method magnetic and semiconducting solutions for U=2.6 eV are energetically degenerate similar to the case of FeSi. For both FeSb2 and FeSi (FeSi1-xGex alloys) the underlying transition mechanism allows one to switch from a small gap semiconductor to a ferromagnetic metal with magnetic moment ≈1 μB per Fe ion with external magnetic field.
Keywords:71.27.+a Strongly correlated electron systems   heavy fermions  71.30.+h Metal-insulator transitions and other electronic transitions
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