Journal article
On the transition from localized to delocalized electronic states in divalent-metal clusters



Publication Details
Authors:
Garcia, M.; Pastor, G.; Bennemann, K.
Publisher:
SPRINGER VERLAG
Publication year:
1991
Journal:
Zeitschrift für Physik D Atoms, Molecules and Clusters,Zeitschrift für Physik D Atoms, Molecules and Clusters
Pages range:
219-221
Journal acronym:
Z. Phys. D
Volume number:
19
Start page:
219
End page:
221
Number of pages:
3
ISSN:
0178-7683
eISSN:
1431-5866

Abstract
The transition from van der Waals to covalent bonding, which is expected to occur in divalent-metal clusters with increasing cluster size, is discussed. We propose a model which takes into account, within the same electronic theory, the three main competing contributions, namely the kinetic energy of the electrons, the Coulomb interactions between electrons, and the s <--> p intraatomic transitions responsible for van der Waals like bonding. The model is solved by taking into account electron correlations using a generalized Gutzwiller approximation (slave boson method). The occurrence of electron localization is studied as a function of the interaction parameters and cluster size.

Last updated on 2019-10-03 at 17:33