Abstract
Scanning tunnelling microscopy provides atomic scale information about surface topography and electronic structure. However, the way the tip affects the STM image cannot always be neglected. The authors present a theoretical study of the effect of the non-uniform electric field of the tip on STM image of adsorbed molecules using Bardeen's approach. Self-consistent geometry optimization and wave-function calculations have been carried out within the CNDO approximation in a cluster model. Their results indicate significant effects. Thus for adsorbed CO on metal, the molecules reorient because of the tip, and the image is changed qualitatively as well as quantitatively. This may explain the lack of observation of CO at low coverage by STM. Their results also suggest the STM might be used for molecular modification.
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