Journal article
Theory for the change of the bond charater in divalent-metal clusters
Publication Details
Authors: | Garcia, M.; Pastor, G.; Bennemann, K. |
Publisher: | AMERICAN PHYSICAL SOC |
Publication year: | 1991 |
Journal: | Physical Review Letters |
Pages range : | 1142-1145 |
Journal acronym: | PRL |
Volume number: | 67 |
Issue number: | 9 |
Start page: | 1142 |
End page: | 1145 |
Number of pages: | 4 |
ISSN: | 0031-9007 |
eISSN: | 1079-7114 |
Abstract
To determine the size dependence or the bonding in divalent-metal clusters we use a many-electron Hamiltonian describing the interplay between van der Waals (vdW) and covalent interactions. Using a saddle-point slave-boson method and taking into account the size-dependent screening of charge fluctuations, we obtain for Hg(n) a sharp transition from vdW to covalent bonding for increasing n. We show also, by solving the model Hamiltonian exactly, that for divalent metals vdW and covalent bonding coexist already in the dimers.
To determine the size dependence or the bonding in divalent-metal clusters we use a many-electron Hamiltonian describing the interplay between van der Waals (vdW) and covalent interactions. Using a saddle-point slave-boson method and taking into account the size-dependent screening of charge fluctuations, we obtain for Hg(n) a sharp transition from vdW to covalent bonding for increasing n. We show also, by solving the model Hamiltonian exactly, that for divalent metals vdW and covalent bonding coexist already in the dimers.
