Document Detail

Giant magnetic moments of B and C doped cuboctahedral Mn(13) clusters.
MedLine Citation:
PMID:  23381776     Owner:  NLM     Status:  Publisher    
Using first-principles calculations based on gradient corrected density functional theory we show that an otherwise distorted icosahedric Mn(13) ferrimagnetic cluster, when doped with six B or C atoms, transforms into a ferromagnetic cuboctahedral cluster with a magnetic moment that is an order of magnitude larger than that of the pure Mn(13) cluster. The origin of this magnetic transition is attributed to the change in the Mn-Mn interatomic distance resulting from the structural transformation. These doped clusters remain ferromagnetic with giant moments even after the removal of a B or C atom. However, similar doping with N atom does not lead to ferromagnetic ordering and Mn(13)N(6) remains ferrimagnetic with a magnetic moment of only 3 μ(B), just as in its parent Mn(13) cluster.
Menghao Wu; Puru Jena
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2013-2-5
Journal Detail:
Title:  Nanoscale     Volume:  -     ISSN:  2040-3372     ISO Abbreviation:  Nanoscale     Publication Date:  2013 Feb 
Date Detail:
Created Date:  2013-2-5     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101525249     Medline TA:  Nanoscale     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Physics Department, Virginia Commonwealth University, Richmond, VA 23284-2000, USA.
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