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Calculation of the electronic properties of neutral and ionized divalent-metal clusters

dc.date.accessioned2008-07-01T09:08:44Z
dc.date.available2008-07-01T09:08:44Z
dc.date.issued1993
dc.identifier.issn0722-3277
dc.identifier.uriurn:nbn:de:hebis:34-2008070122361
dc.identifier.urihttp://hdl.handle.net/123456789/2008070122361
dc.format.extent331828 bytes
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.rightsUrheberrechtlich geschützt
dc.rights.urihttps://rightsstatements.org/page/InC/1.0/
dc.subject.ddc530
dc.titleCalculation of the electronic properties of neutral and ionized divalent-metal clusterseng
dc.typeAufsatz
dcterms.abstractThe 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.eng
dcterms.accessRightsopen access
dcterms.bibliographicCitationZ. Phys. D 26, 293 - 295 (1993)
dcterms.creatorGarcia, Martin E.
dcterms.creatorPastor, G. M.
dcterms.creatorBennemann, K. H.
dc.description.etExtern
dc.subject.pacs36.40+deng
dc.subject.pacs71.30+heng
dc.subject.pacs33.80+Eheng


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