Aufsatz in einer Fachzeitschrift
On the transition from localized to delocalized electronic states in divalent-metal clusters
Details zur Publikation
Autor(inn)en: | Garcia, M.; Pastor, G.; Bennemann, K. |
Verlag: | SPRINGER VERLAG |
Publikationsjahr: | 1991 |
Zeitschrift: | Zeitschrift für Physik D Atoms, Molecules and Clusters |
Seitenbereich: | 219-221 |
Jahrgang/Band : | 19 |
Erste Seite: | 219 |
Letzte Seite: | 221 |
Seitenumfang: | 3 |
ISSN: | 0178-7683 |
eISSN: | 1431-5866 |
Zusammenfassung, 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.
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.
