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Split-off dimer defects on the Si(001)2x1 surface

S. R. Schofield·N. A. Marks·N. J. Curson·J. L. O'Brien·G. W. Brown·M. Y. Simmons·R. G. Clark·M. E. Hawley·H. F. Wilson
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Abstract

Dimer vacancy (DV) defect complexes in the Si(001)2x1 surface were investigated using high-resolution scanning tunneling microscopy and first principles calculations. We find that under low bias filled-state tunneling conditions, isolated 'split-off' dimers in these defect complexes are imaged as pairs of protrusions while the surrounding Si surface dimers appear as the usual 'bean-shaped' protrusions. We attribute this to the formation of pi-bonds between the two atoms of the split-off dimer and second layer atoms, and present charge density plots to support this assignment. We observe a local brightness enhancement due to strain for different DV complexes and provide the first experimental confirmation of an earlier prediction that the 1+2-DV induces less surface strain than other DV complexes. Finally, we present a previously unreported triangular shaped split-off dimer defect complex that exists at SB-type step edges, and propose a structure for this defect involving a bound Si monomer.

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S. R. Schofield, N. A. Marks, N. J. Curson, J. L. O'Brien, G. W. Brown, M. Y. Simmons, R. G. Clark, M. E. Hawley, H. F. Wilson. 2003-05-05. Split-off dimer defects on the Si(001)2x1 surface. https://doi.org/10.1103/physrevb.69.085312

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