Structure of Si(111)−7 × 7

Abstract

A model of the Si(111)−7 × 7 surface atomic arrangement is put forward on the basis of results already established for Si(111) and Si(100) surfaces. The unit mesh contains a triangular double-layer island with 21 first-layer atoms. The island is laterally expanded and is bounded by [1̄1̄2] steps with second-layer edge atoms forming asymmetric dimers. It is shown that salient features of low energy electron diffraction (LEED) patterns for Si(111)−7 × 7 can be explained by the model. The LEED patterns are interpreted qualitatively by a double-diffraction mechanism involving forward diffraction in the selvedge. It is shown that the patterns contain characteristic formations of fractional-order spots attributable to the dimers at the island boundaries. The best agreement with observed patterns is obtained with the following parameter values: dimer bond length 2.5 ± 0.2 Å, island lateral expansion 3 ± 2%. Some of the implications of the model for the chemical reactivity and electronic properties of the Si(111)−7 × 7 surface are discussed.