T. Miyazaki et al., STRUCTURE MODELS OF THE C-TYPE DEFECT ON SI(001), Materials science & engineering. B, Solid-state materials for advanced technology, 37(1-3), 1996, pp. 168-171
New structure models for an important type of defect, the ''C-type'' d
efect, on the Si(001) surface are proposed and their stability and the
ir relation to scanning tunnelling microscopy images are studied by la
rge-scale ab initio calculations. The crucial aspect of the new models
is the presence of a vacancy in the second layer, in contrast to a na
ive picture assuming two vacancies on the surface.