Diffusion mechanisms of dimers adsorbed on periodic substrates

Ruoping Wang, Kristen Ann Fichthorn

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Abstract

We have utilized static minimum-potential-energy calculations to determine microscopic diffusion mechanisms of the simplest molecular adsorbate, namely a dimer, on a periodic substrate. We consider a rigid homonuclear dimer physically adsorbed on a SC(100) crystal surface by means of a Lennard-Jones potential. We show that, by varying the dimer length relative to the lattice constant, a wide range of rich and varied diffusion behavior can be achieved. The model has experimental analogs and implications, which will be discussed.

Original languageEnglish (US)
Pages (from-to)18288-18291
Number of pages4
JournalPhysical Review B
Volume48
Issue number24
DOIs
StatePublished - Jan 1 1993

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All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

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