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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References
Briere T M, Sluiter M H F, Kumar V and Kawazoe Y 2002Mater. Trans. 43 424
Knickelbein M B 2001Phys. Rev. Lett. 86 5255
Kresse G and Furthmüller J 1996Comp. Mater. Sci. 6 15
Nayak S K, Rao B K and Jena P 1998J. Phys. Condens. Matter 10 10863
Nayak S K, Noojien M and Jena P 1999J. Phys. Chem. 103 9853
Pederson M R, Reuse F and Khanna S N 1998Phys. Rev. B58 5632
Perdew J P and Wang Y 1992Phys. Rev. B45 13244