Determination of a p(3√2×√2)R45° Structure Formed by Sn Adsorption onCu(001): A Tensor Low-energy Electron Diffraction Analysis

概要

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Low-energy electron diffraction (LEED) have been used to determine the p (3√2×√2)R45°structure formed at 300K by adsorption of Sn atoms on Cu(001). It is confirmed that the same model suggested by previous studies of surface x-ray diffraction, density functional calculations and LEED analysis is correct. It contains missing-rows along the [100] direction. Optimum parameters of the p (3√2×√2)R45°structure reveal that the substitutional Sn atoms laterally displaced by 0.30±0.05Åaway from ideal fourfold-hollow sites. Distance between the nearest-neighbor substitutional Sn atoms is 3.02±0.05 Å, suggesting the formation of an Sn dimer. The stabilization mechanism of the p(3√2×√2)R45°structure is discussed.