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The mean free path was calculated according to Ref. 57. During the refinement of low kinetic energy data, the mean free path was fitted as a parameter (optimum value: 3 Å).
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59
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33646652252
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note
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The domains considered are due to the fact that a 180° rotation of the whole cluster shown in Fig. 10 is an equally acceptable structure. This domain structure does not affect the LEED pattern.
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note
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High kinetic energy peaks are mostly sensitive to interatomic directions in the bulk. However, they are also affected by other factors as the surface structure itself. A more accurate fit would require one to optimize the structure of the surface layer, as is done in the refinement process.
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The R-factor in this paper is calculated without smoothing. It is known that smoothing leads to a markedly lower R-factor value (Ref. 64).
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33646664951
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note
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0=2.25 Å. The inner potential was optimized for each energy, with values in the range 5-15 eV. See also Ref. 56.
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