Electronic structure and magnetism in 4d-transition metal clusters |
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| Authors: | R Guirado-López D Spanjaard M-C Desjonquères AM Oleś |
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| Institution: | (1) Laboratoire de Physique des Solides, Université Paris-Sud, Batiment 510, 91405 Orsay, France, FR;(2) Service de Recherche sur les Surfaces et l'Irradiation de la Matière, CE-Saclay, 91191 Gif-sur-Yvette, France, FR |
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| Abstract: | We analyze the stability of magnetic states obtained within the tight-binding model for cubooctahedral (Oh) and icosahedral (Ih) clusters of early 4d (Y, Zr, Nb, Mo, and Tc) transition metals. Several metastable magnetic clusters are identified which suggests the existence
of multiple magnetic solutions in realistic systems. A bulk-like parabolic behavior is observed for the binding energy of
Oh and Ih clusters as a function of the atomic number along the 4
d-series. The charge transfer on the central atom changes sign, while the average magnetic moments present an oscillatory behavior
as a function of the number of d electrons in the cluster. Our results are in agreement with other theoretical calculations.
Received: 20 November 1997 / Received in final form: 9 March 1998 / Accepted: 30 March 1998 |
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| Keywords: | PACS 36 40 Cg Electronic and magnetic properties of clusters - 71 24 +q Electronic structure of clusters and nanoparticles |
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