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Electronic structure and the site preference of manganese in Fe 3 Si alloy

Author

Listed:
  • A. Go
  • M. Pugaczowa-Michalska
  • L. Dobrzyński

Abstract

Ab initio calculations of the magnetic properties and site preference of Mn in Fe 3-x Mn x Si were carried out using density functional theory and employing the TB-LMTO-ASA method. Qualitative agreement with the experimental results is obtained for site preference as well as for total and local magnetic moments. It is postulated that short-range order would explain observed discrepancies between theoretical and experimental results. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Suggested Citation

  • A. Go & M. Pugaczowa-Michalska & L. Dobrzyński, 2007. "Electronic structure and the site preference of manganese in Fe 3 Si alloy," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 59(1), pages 1-8, September.
    • Handle: RePEc:spr:eurphb:v:59:y:2007:i:1:p:1-8
    DOI: 10.1140/epjb/e2007-00263-7
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