TED analysis of the Si(113) surface structure

We carried out a TED (transmission electron diffraction) analysis of the Si(113) surface structure. The TED patterns taken at room temperature showed reflections due to the 3 × 2 reconstructed structure. The TED pattern indicated that a glide plane parallel to the direction suggested in some models is excluded. We calculated the R-factors (reliability factors) for six surface structure models proposed previously. All structure models with energy-optimized atomic positions have large R-factors. After revision of the atomic positions, the R-factors of all the structure models decreased below 0.3, and the revised version of Dabrowski's 3 × 2 model has the smallest R-factor of 0.17.

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