Title
Atom diffusion of small Cu clusters across facet-facet barriers over Cu{1 1 1} surfaces
Date Issued
01 September 2007
Access level
metadata only access
Resource Type
journal article
Author(s)
Publisher(s)
Institute of Physics Publishing
Abstract
The activation energy for atom diffusion across steps and facets is a key factor in the surface structure formation during thin films deposition processes. In this work, we calculate facet-facet barriers for atom diffusion of small Cu clusters (up to eight atoms) from {1 1 1} facets to {1 1 1} (or {1 0 0}) facets. In each case we focus only on the atom-by-atom diffusion process because this mechanism was previously found as being energetically the most favourable. Our results show that, for all clusters considered, the diffusion barriers become independent of the facet size for three or more atomic layers. In addition, clusters bigger than trimers present similar lowest facet-facet barriers, except for heptamers which present the highest activation energy. In general, for single steps, diffusion from {1 1 1} to {1 1 1} presents smaller lowest and highest energy barriers than diffusion from {1 1 1} to {1 0 0}. But for multiple steps (facets), both cases show similar behaviours. Finally, it is worth noting that all these barriers are significantly greater than the corresponding concerted cluster diffusion over a plane. © 2007 IOP Publishing Ltd.
Start page
419
End page
426
Volume
15
Issue
5
Language
English
OCDE Knowledge area
Mecánica aplicada Ingeniería mecánica
Scopus EID
2-s2.0-34547469493
Source
Modelling and Simulation in Materials Science and Engineering
ISSN of the container
09650393
Sources of information: Directorio de Producción Científica Scopus