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Structures of Mn clusters
Tina Briere M., Marcel Sluiter H.F., , Yoshiyuki Kawazoe
Published in
Volume: 26
Issue: 1
Pages: 115 - 116
The geometries of several Mn clusters in the size range Mn13-Mn23 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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