Interaction between electronic structure and strain in Bi nanolines on Si(001)

Heteroepitaxial strain can be a controlling factor in the lateral dimensions of 1-D nanostructures. Bi nanolines on Si(001) have an atomic structure which involves a large sub-surface reconstruction, resulting in a strong elastic coupling to the surrounding silicon. We present variable-bias STM and first principles electronic structure calculations of the Bi nanolines, which investigates this interaction. We show that the strain associated with the nanolines affects the atomic and electronic structure of at least two neighbouring Si dimers, and identify the mechanism behind this. We also present partial charge densities (projected by energy) for the nanoline with clean and hydrogenated surroundings and contrast it to the clean Si(001) surface.Comment: 10 pages, 3 figures, submitted to Surface Scienc

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

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.Comment: 8 pages, 7 figures, submitted to Phys. Rev.

Proposal for A Rational Classification of Neck Dissections

status: publishe