Abstract
Bonding properties of sodium-cluster dimers, (X 4)2 and (X 8)2, whereX n is a jellium sphere corresponding to a cluster ofn atoms, were investigated by the linear-combination-of-jellium-orbitals method with local-spin-density-functional approximation. The stability ofn=8 clusters, observed in the experiment, is discussed in relation to the binding properties of dimers. We have found that (1) the (X 4)2 bonding has a covalent character, which makes theX 8 formation favorable, and (2)X 8 has an inert property because the force between jellium spheres in (X 8)2 is due to a weak dispersion force.
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Ishii, Y., Saito, S. & Ohnishi, S. Electronic structures and stabilities of sodium clusters: jellium-sphere dimer calculation. Z Phys D - Atoms, Molecules and Clusters 7, 289–292 (1987). https://doi.org/10.1007/BF01384996
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DOI: https://doi.org/10.1007/BF01384996