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Magnetic properties of M13 clusters (M=Y, Zr, Nb, Mo, and Tc).

The magnetic properties of 13-atom M clusters (M=Y, Zr, Nb, Mo, and Tc) with three possible high-symmetry geometries have been studied using the discrete-variational local-spin-density-functional method. While the ground states of most transition-metal 13-atom clusters correspond to the icosahedral structure, we found that the cuboctahedral structure is more energetically stable than the icosahedral one for Mo-13 and Tc-13 clusters. The ground states of all the clusters are shown to be magnetic, but their magnetic moments are not striking.