Energetics and many-particle mechanisms of two-dimensional cluster diffusion on Cu(100) surfaces

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© 2000 American Physical Society (APS). http://www.aps.org
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Journal Title

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Volume Title

School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Date

2000

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Mcode

Degree programme

Language

en

Pages

1611-1614

Series

Physical Review B, Volume 62, Issue 3

Abstract

We study the energetics and stability of small Cu clusters on Cu(100) surfaces using molecular statics combined with systematic saddle-point search methods. We find several previously overlooked concerted many-particle processes that play an important role in cluster energetics. In particular, for smaller clusters there is an internal atom row shear mechanism that in some cases determines the rate-limiting step for center-of-mass motion. Our results suggest specific reaction paths for experimentally observed cluster diffusion events.

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Keywords

surfaces, diffusion, energetics, stability

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Citation

Trushin, O. S. & Salo, P. & Ala-Nissilä, Tapio. 2000. Energetics and many-particle mechanisms of two-dimensional cluster diffusion on Cu(100) surfaces. Physical Review B. Volume 62, Issue 3. P. 1611-1614. ISSN 1098-0121 (printed). DOI: 10.1103/physrevb.62.1611.