Determination and Refinement of theAg/Si(111)−(3×1)Surface Structure

Abstract

A new model for the $\mathrm{Ag}/\mathrm{Si}\left(111\right)-(3\times 1)$ surface is proposed based on direct phasing of transmission electron diffraction data. The atomic positions in the model are refined using dynamical diffraction calculations. Other existing models were simulated and could not fit the diffraction pattern. The new model is consistent with the experimental results reported in the literature on this surface.