Electronic structure and magnetism in 4d-transition metal clusters Article

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Overview

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 4d-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.

authors

• Desjouquères M.-C.
• Guirado López Ricardo Alberto
• Oleś A.M.
• Spanjaard D.

publication date

• 1998-01-01

published in

• European Physical Journal B  Journal

Research

keywords

• 36.40.Cg Electronic and magnetic properties of clusters; 71.24. q Electronic structure of clusters and nanoparticles Binding energy; Charge transfer; Electronic properties; Electronic structure; Magnetic moments; Magnetic properties; Magnetism; Mathematical models; Bulk-like parabolic behavior; Transition metals
• 36.40.Cg Electronic and magnetic properties of clusters; 71.24.+q Electronic structure of clusters and nanoparticles Binding energy; Charge transfer; Electronic properties; Electronic structure; Magnetic moments; Magnetic properties; Magnetism; Mathematical models; Bulk-like parabolic behavior; Transition metals

Identity

Digital Object Identifier (DOI)

• 10.1007/s100510050333

Additional Document Info

start page

• 437

end page

• 446

volume

• 3

issue

• 4