Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1)

Title: Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1)
Creator: Reusch, T. C. G; Warschkow, O.; Radny, M. W.; Smith, P. V.; Marks, N. A.; Curson, N. J.; McKenzie, D. R.; Simmons, M. Y.
Relation: Surface Science Vol. 601, Issue 18, p. 4036-4040
Publisher Link: http://dx.doi.org/10.1016/j.susc.2007.04.072
Publisher: Elsevier
Resource Type: journal article
Date: 2007
Description: We have studied single Si dangling bonds on the Si(0 0 1) surface using scanning tunnelling microscopy (STM) and density functional theory (DFT) calculations. The Si dangling bonds are created by the chemisorption of single hydrogen atoms forming a Si–Si–H hemihydride. At room temperature, the hemihydride induces static buckling on adjacent Si–Si dimers. In the STM measurements, we observe that the orientation of the static buckling pattern can be reversed with tip-sample bias and influenced by the substrate doping. Our DFT calculations yield a correlation between the electron occupancy of the hemihydride Si dangling bond and the buckling orientation around it.
Subject: scanning tunnelling microscopy; density functional theory; chemisorption; surface relaxation and reconstruction
Identifier: http://hdl.handle.net/1959.13/33930
Identifier: uon:3388
Identifier: ISSN:0039-6028
Language: eng
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