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

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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.
Original languageEnglish
Pages (from-to)1611-1614
JournalPhysical Review B
Volume62
Issue number3
DOIs
Publication statusPublished - 2000
MoE publication typeA1 Journal article-refereed

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