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Electronic structures and stabilities of sodium clusters: jellium-sphere dimer calculation |
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| Authors: | Y. Ishii S. Saito S. Ohnishi |
| Affiliation: | 1. Department of Physics, Harvard University, Cambridge, MA 2. The Institute for Solid State Physics, University of Tokyo, Roppongi, Minato-ku, 106, Tokyo, Japan 3. Fundamental Research Laboratories, NC Corporation, Miyazaki, Miyamae-ku, Kawasaki, Japan |
| 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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