Fundamental magnetic and elastic properties of Fe-Si alloys: A first-principles study

  • Yun, Won-Seok (Graduate Institute of Ferrous Technology, Pohang University of Science and Technology) ;
  • Lee, Jee-Yong (Graduate Institute of Ferrous Technology, Pohang University of Science and Technology) ;
  • Kim, In-Gee (Graduate Institute of Ferrous Technology, Pohang University of Science and Technology) ;
  • Hong, Soon-Cheol (Department of Physics and Energy Harvest-Storage Research Center, University of Ulsan) ;
  • Lee, Jae-Il (Department of Physics, Inha University)
  • Published : 2011.12.05

Abstract

In this study, the magnetism and the elastic properties of Fe-Si alloys have been investigated using the all-electron FLAPW method based on the GGA. The local magnetic moment of Fe atoms decreases gradually. From the Pugh's relation and $C_P$, in the ordered $D0_3$ $Fe_3Si$, we predict that it presents intrinsic ductility.

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