The structure of the Cu(111)(7×7)R19°-S surface phase: a new normal-incidence X-ray standing wave study

The local geometry of the adsorbed sulphur atoms in the Cu(111)(7×7)R19°-S surface phase has been investigated with normal-incidence X-ray standing wavefield (NIXSW) absorption using the (111), (1̄11) and (200) Bragg reflections. The results are compared with the predictions for previously proposed models based on earlier investigations using NIXSW [but only the (111) reflection], surface extended X-ray absorption fine structure, quantitative low energy electron diffraction, surface X-ray diffraction (SXRD) and scanning tunneling microscopy. The best agreement is found for the model deduced from SXRD based on Cu4S adclusters, but for the specific overlayer substrate registry in which these clusters are centred atop an outermost substrate layer Cu atom. All of the other models show significant inconsistencies with these new data.