| Issue |
Europhys. Lett.
Volume 34, Number 3, April 1996
|
|
|---|---|---|
| Page(s) | 177 - 182 | |
| Section | Atomic, molecular and optical physics | |
| DOI | https://doi.org/10.1209/epl/i1996-00435-1 | |
| Published online | 01 September 2002 | |
Metallic clusters on an ionic surface
Department
of Physics, University of Jyväskylä, P.O. Box 35, FIN-40351
Jyväskylä, Finland
Received:
4
December
1995
Accepted:
11
March
1996
A total-energy method based on ab initio
pseudopotentials
and Kohn-Sham formulation of the density functional theory
is used to study the geometry and the electronic
structure of small sodium clusters
up to 
deposited on an ionic NaCl(001)
surface.
The surface induces very small changes
to the structure of the adsorbed cluster as compared
to the free cluster,
due to the large gap
which separates the single-electron states associated
with the cluster from those
belonging to the substrate.
The binding energy of the cluster to the surface has local
maxima for 
and 
.
The characteristics of the surface diffusion of
a single sodium adatom are
predicted.
PACS: 36.40.Cg – Electronic and magnetic properties of clusters / 36.40.Qv – Stability and fragmentation of clusters / 73.20.Hb – Impurity and defect levels; energy states of adsorbed species
© EDP Sciences, 1996
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