Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2009-11-18
Eur. Phys. J. B 73, 515-526 (2010)
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
12 pages, 12 figures
Scientific paper
10.1140/epjb/e2010-00028-3
The tetrameric Ni(II) spin cluster Ni4Mo12 has been studied by INS. The data were analyzed extensively in terms of a very general spin Hamiltonian, which includes antiferromagnetic Heisenberg interactions, biquadratic 2-spin and 3-spin interactions, a single-ion magnetic anisotropy, and Dzyaloshinsky-Moriya interactions. Some of the experimentally observed features in the INS spectra could be reproduced, however, one feature at 1.65 meV resisted all efforts. This supports the conclusion that the spin Hamiltonian approach is not adequate to describe the magnetism in Ni4Mo12. The isotropic terms in the spin Hamiltonian can be obtained in a strong-coupling expansion of the Hubbard model at half-filling. Therefore detailed theoretical studies of the Hubbard model were undertaken, using analytical as well as numerical techniques. We carefully analyzed its abilities and restrictions in applications to molecular spin clusters. As a main result it was found that the Hubbard model is also unable to appropriately explain the magnetism in Ni4Mo12. Extensions of the model are also discussed.
Brüger M.
Höck Martin
Mutka Hannu
Nehrkorn J.
Schnack Juergen
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