Aufsatz
Calculation of the electronic properties of neutral and ionized divalent-metal clusters
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.
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Publikationen (Theoretische Physik II - Theoretische Festkörper- und Ultrakurzzeitphysik)Citation
@article{urn:nbn:de:hebis:34-2008070122361,
author={Garcia, Martin E. and Pastor, G. M. and Bennemann, K. H.},
title={Calculation of the electronic properties of neutral and ionized divalent-metal clusters},
year={1993}
}
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<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2008-07-01T09:08:44Z 2008-07-01T09:08:44Z 1993 0722-3277 urn:nbn:de:hebis:34-2008070122361 http://hdl.handle.net/123456789/2008070122361 331828 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Calculation of the electronic properties of neutral and ionized divalent-metal clusters Aufsatz 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. open access Z. Phys. D 26, 293 - 295 (1993) Garcia, Martin E. Pastor, G. M. Bennemann, K. H. Extern 36.40+d 71.30+h 33.80+Eh </resource>
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