Slave-boson approach to the size-dependent transition from van der Waals to covalent bonding in Hg_n clusters
| dc.date.accessioned | 2008-07-08T09:13:48Z | |
| dc.date.available | 2008-07-08T09:13:48Z | |
| dc.date.issued | 1994 | |
| dc.description.et | Extern | ger |
| dc.format.extent | 577009 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.identifier.issn | 0927-0256 | |
| dc.identifier.uri | urn:nbn:de:hebis:34-2008070822628 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/2008070822628 | |
| dc.language.iso | eng | |
| dc.rights | Urheberrechtlich geschützt | |
| dc.rights.uri | https://rightsstatements.org/page/InC/1.0/ | |
| dc.subject.ddc | 530 | |
| dc.title | Slave-boson approach to the size-dependent transition from van der Waals to covalent bonding in Hg_n clusters | eng |
| dc.type | Aufsatz | |
| dcterms.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. | eng |
| dcterms.accessRights | open access | |
| dcterms.bibliographicCitation | Computational Materials Science 2, 481 (1994) | |
| dcterms.creator | Garcia, Martin E. | |
| dcterms.creator | Bennemann, K. H. |