Marcel H F Sluiter
Articles written in Bulletin of Materials Science
Volume 26 Issue 1 January 2003 pp 115-116
Tina M Briere Marcel H F Sluiter Vijay Kumar Yoshiyuki Kawazoe
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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