| The effect of carbon distribution on the manganese magnetic moment in bcc Fe-Mn alloy. | |
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MedLine Citation:
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PMID: 21795765 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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First-principles calculations were performed to study the structural, electronic, and magnetic properties of bcc Fe with C impurities alloyed with 2, 3, and 6 at.% 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 1 µ(B) near 3 at.% 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(x)C clusters is predicted. |
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Authors:
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N I Medvedeva; D C Van Aken; J E Medvedeva |
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Publication Detail:
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Type: Journal Article Date: 2011-07-27 |
Journal Detail:
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Title: Journal of physics. Condensed matter : an Institute of Physics journal Volume: 23 ISSN: 1361-648X ISO Abbreviation: J Phys Condens Matter Publication Date: 2011 Aug |
Date Detail:
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Created Date: 2011-07-28 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101165248 Medline TA: J Phys Condens Matter Country: England |
Other Details:
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Languages: eng Pagination: 326003 Citation Subset: IM |
Affiliation:
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Institute of Solid State Chemistry, Ekaterinburg, 620990, Russia. , Missouri University of Science and Technology, Rolla, MO 65409, USA. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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