Abstract
A tensor LEED analysis is reported for the (7×7)R19.1° structure formed by S at the Cu(111) surface. A new structural model is found which corresponds to a modified version of the copper sulphide overlayer model first proposed by Domange and Oudar. In that model, the topmost layer has 3/7 monolayer each of Cu and S atoms, but the modification involves one S atom per unit mesh moving down to displace a Cu atom from the second metal layer. Relaxations among the topmost Cu atoms result in one S atom being effectively three-fold coordinate while the other two are sixfold coordinate and 12-fold coordinate; the averaged SCu bond lengths are indicated to equal 2.19, 2.47 and 2.62Å respectively. Some discussion is included of factors that may influence this choice of surface structure.
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