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We have calculated the magnetic moment per atom, μ̄, of symmetric nickel cluster-dimers NiN-NiN as a function of cluster-cluster distance D and cluster size N. The spin-polarized electronic structure has been calculated with a self-consistent tight-binding method considering the 3d, 4s and 4p valence electrons. We have analyzed the partial sp and d contributions to μ̄. The d component shows a monotonic behavior and provides the dominant contribution to μ̄, whereas the sp contribution shows a non-monotonic (and complex) behavior as a function of the distance and of cluster size. The approaching clusters change their intrinsic magnetic moments at separations of the order of the bulk first nearest-neighbor distance dfn. For N = 5-7 there is a range of separations (1dfn-3dfn) where the cluster moments are slightly enhanced.
Chemical bonds; Crystal structure; Dimers; Electronic structure; Magnetic moments; Magnetization; Nanostructured materials; Polarization; Self-consistent tight binding method; Nickel
Magnetic interactions between small Ni clusters
Generically Dependent Continuant
RDF description of Magnetic interactions between small Ni clusters - http://orbis.uaslp.mx/vivo/individual/scopus888
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Consejo Nacional de Ciencia y Tecnología, CONACYT: 625851-E
Junta de Castilla y León: VA 28/99, Va 70/99
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