KOBRA - Dokumentenserver der Universität Kassel  → Fachbereiche  → FB 10 / Mathematik und Naturwissenschaften  → Institut für Physik  → Theoretische Physik II - Theoretische Festkörper- und Ultrakurzzeitphysik  → Publikationen 

Please use this identifier to cite or link to this item: http://nbn-resolving.de/urn:nbn:de:hebis:34-2008070122361

Title: Calculation of the electronic properties of neutral and ionized divalent-metal clusters
Authors: Garcia, Martin E.Pastor, G. M.Bennemann, K. H.
???metadata.dc.subject.ddc???: 530 - Physik (Physics)
Issue Date: 1993
Citation: Z. Phys. D 26, 293 - 295 (1993)
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 potential I_p(n). For neutral Hg_n clusters we obtain a transition from van del Waals to covalent behaviour at the critical size n_c ~ 10-20 atoms. Results for I_p(Hg_n) with n \le 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 by n - 3 polarized neutral atoms.
URI: urn:nbn:de:hebis:34-2008070122361
ISSN: 0722-3277
Appears in Collections:Publikationen

Files in This Item:

File Description SizeFormat
garcia_calculation.pdf324.05 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.