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

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

2003-05-05

arxiv.org/abs/cond-mat/0305065v1

Phys. Rev. B 69, 085312 (2004)

Physics

Condensed Matter

Materials Science

8 pages, 7 figures, submitted to Phys. Rev. B

Scientific paper

10.1103/PhysRevB.69.085312

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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