Abstract
A tight-binding total-energy expression is used to study the structure and electronic properties of relatively large RHN clusters (13 ≤ N ≤ 165). The clusters are built by adding successive atomic shells around a central atom and the radii of these shells are allowed to relax independently. In all cases, the relaxed structure is far from being homothetical to the unrelaxed one. For small Rhjv clusters (N ≤ 75) multiple magnetic solutions are obtained and in all cases the local magnetic moments M(i) present a remarkable size and environment dependence. The relation between the observed average magnetization and the cluster geometry is also analyzed.
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© 2001 Kluwer Academic / Plenum Publishers, New York
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Guirado-López, R. (2001). Electronic and Structural Properties of Rh N Clusters: a Molecular Dynamics Study. In: Morán-López, J.L. (eds) Physics of Low Dimensional Systems. Springer, Boston, MA. https://doi.org/10.1007/0-306-47111-6_11
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DOI: https://doi.org/10.1007/0-306-47111-6_11
Publisher Name: Springer, Boston, MA
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