Effects of Al Impurity on Magnetism in bcc Fe by a First-principles Calculation

  • Seo, Seung-Woo (Graduate Institute of Ferrous Technology (GIFT), Pohang University of Science and Technology (POSTECH)) ;
  • Rahman, Gul (Graduate Institute of Ferrous Technology (GIFT), Pohang University of Science and Technology (POSTECH)) ;
  • Kim, In-Gee (Graduate Institute of Ferrous Technology (GIFT), Pohang University of Science and Technology (POSTECH))
  • Published : 2009.12.06

Abstract

First-principles calculations were carried out to investigate the effects of Al impurities on bcc Fe magnetism by considering SOC. No significant solid solution hardening effect was found. Albeit the effects of the SOC by Al on spin magnetic moments were minor, there are sizeable orbital magnetic effects. It is concluded that the orbital magnetism due to the Al impurity is strongly related with the impurity screening of the system as seen in Si impurity case [3], but the effects of Al impurity is stronger than those of Si impurity in terms of orbital magnetism.

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