Abstract
The geometries and the electronic structures of the small zinc clusters Zn 2-Zn 6 have been studied by the ab initio density-functional method with an ultrasoft pseudopotential. The ground state of Zn 2 is found to be stable with a bond length of 2.80 Å. Zn 4-Zn 6 clusters have larger dissociation energies per atom than Zn 2-Zn 3 clusters. The zinc clusters also show a tendency to prefer compact geometric structures.
| Original language | English |
|---|---|
| Pages (from-to) | 310-313 |
| Number of pages | 4 |
| Journal | Journal of the Korean Physical Society |
| Volume | 34 |
| Issue number | 3 |
| State | Published - 1999 |