Abstract
The atomic configuration of B atoms segregated on the surface of Si(001)-2×1 is investigated with scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). STM images of the unoccupied state show very characteristic paired protrusions located on both sides of Si dimer rows in a symmetrical manner. They can be observed only at a high sample bias (>1.4 V) and are enhanced at ∼2.0 V. This is confirmed quantitatively by STS measurements. The STM and STS data are compared with a cluster model calculation based on a local density approximation method. The results show that a model where a B atom bridges two neighbouring Si dimers in a dimer row can reproduce the STM and STS observations.
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