Magnetism of [formula omitted] clusters

The size and structural dependence of the magnetic properties of [formula omitted] clusters [formula omitted] are studied by using a [formula omitted]-electron tight-binding Hamiltonian which includes hybridizations, Coulomb interactions, and spin–orbit coupling on the same electronic level. We show that the spin (S) and orbital (L) magnetic moments depend strongly on the local environment of the atoms and that their behavior as a function of the cluster size present oscillations which are in good qualitative agreement with experiment. The magnetic anisotropy energy and the anisotropy in L are quantified by considering different directions of the spin magnetization S within the cluster. We conclude that orbital contributions to the average magnetization in [formula omitted] clusters could be important for precise comparison with experiment. Bond-length relaxation effects are also briefly discussed. © 2000, American Institute of Physics. All rights reserved.

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