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APS » Journals » Phys. Rev. B » Volume 61 » Issue 13
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Phys. Rev. B 61, 8851–8855 (2000)

Spin Hamiltonians for small Ni clusters

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E. Viitala
Department of Physics, University of Jyväskylä, P.O. Box 35, FIN-40351 Jyväskylä, Finland

H. Häkkinen
School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332

M. Manninen and J. Timonen
Department of Physics, University of Jyväskylä, P.O. Box 35, FIN-40351 Jyväskylä, Finland

Received 28 September 1999; published in the issue dated 1 April 2000

The lowest-lying electronic states of small nickel clusters (Ni3 and Ni4) have been solved by ab initio spin-density-functional theory, and then fitted by suitably parametrized spin Hamiltonians. The results demonstrate that these spin Hamiltonians strongly depend on the geometry of the cluster. For small clusters it is important to also include higher powers of the single-site anisotropy terms.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.61.8851
DOI:
10.1103/PhysRevB.61.8851
PACS:
75.10.Dg, 75.10.Jm
 
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