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

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

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en

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Physical Review B, Volume 62, issue 3, pp. 1611-1614

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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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Trushin, O, Salo, P & Ala-Nissilä, T 2000, 'Energetics and many-particle mechanisms of two-dimensional cluster diffusion on Cu(100) surfaces', Physical Review B, vol. 62, no. 3, pp. 1611-1614. https://doi.org/10.1103/PhysRevB.62.1611