Abstract
The atomic configuration of B atoms on the Si(001)-2×1 surface which are segregated on the top surface is investigated with scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) whose data are further analyzed by comparison with a cluster model calculation with a local density approximation method. Unoccupied state STM images show characteristic paired protrusions which are located on both sides of the Si dimer rows in a symmetrical manner. They can be observed only at a higher sample bias (>1.4 V) and are enhanced at ∼2.0 V, which is further confirmed quantitatively by STS measurements. The cluster calculation shows that a model where a B atom is bridging two neighboring Si dimers in the same dimer row can reproduce the STM and STS observations.
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