Atomic mechanisms and kinetics of self-diffusion on the Pd(001) surface

The atomic mechanisms and kinetics of self-diffusion of Pd adatoms on a single-crystal Pd(001) surface are investigated using molecular dynamics simulation. It is shown that the migration of Pd adatoms on the Pd(001) surface predominantly occurs through the relay-race mechanism with the participatio...

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Bibliographic Details
Published in:Fizika tverdogo tela 2004-09, Vol.46 (9), p.1781-1784
Main Authors: Evteev, A. V., Kosilov, A. T., Solyanik, S. A.
Format: Article
Language:English
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Summary:The atomic mechanisms and kinetics of self-diffusion of Pd adatoms on a single-crystal Pd(001) surface are investigated using molecular dynamics simulation. It is shown that the migration of Pd adatoms on the Pd(001) surface predominantly occurs through the relay-race mechanism with the participation of substrate atoms. The activation energy for an elementary event of relay-race self-diffusion is calculated from the kinetic equation describing the change in the concentration of surface adatoms labeled at the initial instant of time.
ISSN:1063-7834
0367-3294
1090-6460
DOI:10.1134/1.1799201