ISSN:
1434-6079
Keywords:
36.40+d
;
71.30+h
;
33.80+Eh
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The electronic properties of neutral and ionized divalent-metal clusters have been studied using a microscopic theory, which takes into account the interplay between van der Waals (vdW) and covalent bonding in the neutral clusters, and the competition between hole delocalization and polarization energy in the ionized clusters. By calculating the ground-state energies of neutral and ionized Hg n clusters, we determine the size dependence of the bond character and the ionization potentialI p (n). For neutral Hg n clusters we obtain a transition from van der Waals to covalent behaviour at the critical sizen c ∼10–20 atoms. Results forI p (Hg n ) withn≤20 are in good agreement with experiments, and suggest that small Hg n + clusters can be viewed as consisting of a positive trimer core Hg 3 + surrounded byn−3 polarized neutral atoms.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01429173
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