Direct methods determination of the Si(111)-(6 × 6)Au surface structure

D. Grozea*, E. Landree, L. D. Marks, R. Feidenhans'l, M. Nielsen, R. L. Johnson

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

28 Scopus citations


The atomic structure of the Au 6 × 6 on Si(111) phase has been determined using direct methods and surface X-ray diffraction data. This surface structure is very complicated, with 14 independent gold atoms, relaxations in 24 independent silicon sites and three partially occupied gold sites. In one sense the structure can be described as microdomains of the parent √3 × √3 Au on Si(111) structure. A better description is in terms of a tiling of incomplete pentagonal and trimer units, essentially a pseudopentagonal glass. In terms of these structural units it is possible to explain all the gold structures in the coverage range 0.8-1.5 monolayers as pseudo-glasses with strong short-range order but varying degrees of long-range order.

Original languageEnglish (US)
Pages (from-to)32-45
Number of pages14
JournalSurface Science
Issue number1
StatePublished - Nov 27 1998


  • Computer simulations
  • Direct methods
  • Gold
  • Low index single crystal surfaces
  • Si(111)-(6 × 6)Au
  • Silicon
  • Surface relaxation and reconstruction; X-ray diffraction

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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