Structures of Mn clusters |
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| Authors: | Tina M. Briere Marcel H. F. Sluiter Vijay Kumar Yoshiyuki Kawazoe |
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| Affiliation: | (1) Institute for Materials Research, Tohoku University, Aoba-ku, 980-8577 Sendai, Japan;(2) Dr Vijay Kumar Foundation, 45 Bazaar Street, K.K. Nagar (West), 600 078 Chennai, India |
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| Abstract: | The geometries of several Mn clusters in the size range Mn13-Mn{on23} are studied via the generalized gradient approximation to density functional theory. For the 13-and 19-atom clusters, the icosahedral structures are found to be most stable, while for the 15-atom cluster, the bcc structure is more favoured. The clusters show ferrimagnetic spin configurations. |
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| Keywords: | Clusters magnetism |
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