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Article
The Effect of Carbon Distribution on the Manganese Magnetic Moment in Bcc Fe-Mn Alloy
Journal of Physics: Condensed Matter
  • N. I. Medvedeva
  • David C. Van Aken, Missouri University of Science and Technology
  • Julia E. Medvedeva, Missouri University of Science and Technology
Abstract

First-principles calculations were performed to study the structural, electronic, and magnetic properties of bcc Fe with C impurities alloyed with 2, 3, and 6at.% of Mn. Our results reveal that both manganese concentration and carbon location with respect to Mn affect the Fe-Mn magnetic interaction. With an increase in Mn concentration in bcc Fe-Mn alloy, the local magnetic moment of manganese changes sharply from - 2 to 1ν B near 3at.% Mn, while carbon stabilizes the local ferromagnetic interaction between the nearest Mn atom and the Fe matrix. We demonstrate that the Mn-C interaction is attractive and promotes carbon trapping with a low energy defect configuration. Our results indicate that the Mn-C binding energy strongly depends on the magnetism and the formation of Mn xC clusters is predicted. © 2011 IOP Publishing Ltd.

Department(s)
Materials Science and Engineering
Research Center/Lab(s)
Peaslee Steel Manufacturing Research Center
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2011 Institute of Physics - IOP Publishing, All rights reserved.
Publication Date
1-1-2011
Publication Date
01 Jan 2011
Citation Information
N. I. Medvedeva, David C. Van Aken and Julia E. Medvedeva. "The Effect of Carbon Distribution on the Manganese Magnetic Moment in Bcc Fe-Mn Alloy" Journal of Physics: Condensed Matter (2011) ISSN: 0953-8984
Available at: http://works.bepress.com/julia-medvedeva/27/