Elastic stress domains and the herringbone reconstruction on Au(111)

Shobhana Narasimhan, David Vanderbilt

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Abstract

We suggest that the herringbone reconstruction of the Au(111) surface results from the spontaneous formation of stress domains.The surface is described theoretically by a 2D Frenkel-Kontorova model. Upon including long-range elastic interactions, the stress-domain pattern is energetically favored. The surface topography and structure factor obtained by relaxing atomic coordinates using molecular dynamics bear a strong resemblance to scanning tunneling microscopy pictures and x-ray scattering data, respectively. Our numerical estimate for the separation between domain walls is consistent with experimental results.

Original languageEnglish (US)
Pages (from-to)1564-1567
Number of pages4
JournalPhysical review letters
Volume69
Issue number10
DOIs
StatePublished - Jan 1 1992

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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