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The effect of carbon distribution on the manganese magnetic moment in bcc Fe-Mn alloy.
MedLine Citation:
PMID:  21795765     Owner:  NLM     Status:  In-Data-Review    
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.
N I Medvedeva; D C Van Aken; J E Medvedeva
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Publication Detail:
Type:  Journal Article     Date:  2011-07-27
Journal Detail:
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:
Created Date:  2011-07-28     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  England    
Other Details:
Languages:  eng     Pagination:  326003     Citation Subset:  IM    
Institute of Solid State Chemistry, Ekaterinburg, 620990, Russia. , Missouri University of Science and Technology, Rolla, MO 65409, USA.
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