Aufsatz
Slave-boson approach to the size-dependent transition from van der Waals to covalent bonding in Hg_n clusters
Abstract
We use a microscopic theory to describe the dynamics of the valence electrons in divalent-metal clusters. The theory is based on a many-body model Harniltonian H which takes into account, on the same electronic level, the van der Waals and the covalent bonding. In order to study the ground-state properties of H we have developed an extended slave-boson method. We have studied the bonding character and the degree of electronic delocalization in Hg_n clusters as a function of cluster size. Results show that, for increasing cluster size, an abrupt change occurs in the bond character from van der Waals to covalent bonding at a critical cluster size n_c ~ 10-20. This change also involves a transition from localized to delocalized valence electrons, as a consequence of the competition between both bonding mechanisms.
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Publikationen (Theoretische Physik II - Theoretische Festkörper- und Ultrakurzzeitphysik)Citation
@article{urn:nbn:de:hebis:34-2008070822628,
author={Garcia, Martin E. and Bennemann, K. H.},
title={Slave-boson approach to the size-dependent transition from van der Waals to covalent bonding in Hg_n clusters},
year={1994}
}
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<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2008-07-08T09:13:48Z 2008-07-08T09:13:48Z 1994 0927-0256 urn:nbn:de:hebis:34-2008070822628 http://hdl.handle.net/123456789/2008070822628 577009 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Slave-boson approach to the size-dependent transition from van der Waals to covalent bonding in Hg_n clusters Aufsatz We use a microscopic theory to describe the dynamics of the valence electrons in divalent-metal clusters. The theory is based on a many-body model Harniltonian H which takes into account, on the same electronic level, the van der Waals and the covalent bonding. In order to study the ground-state properties of H we have developed an extended slave-boson method. We have studied the bonding character and the degree of electronic delocalization in Hg_n clusters as a function of cluster size. Results show that, for increasing cluster size, an abrupt change occurs in the bond character from van der Waals to covalent bonding at a critical cluster size n_c ~ 10-20. This change also involves a transition from localized to delocalized valence electrons, as a consequence of the competition between both bonding mechanisms. open access Computational Materials Science 2, 481 (1994) Garcia, Martin E. Bennemann, K. H. Extern </resource>
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