The atomic structure of the cleaved Si(111)-(2x1) surface refined by dynamical LEED

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New or modified models have been proposed for the much-studied Si(111)-(2x1) surface structure, including: a reverse-tilted p-bonded chain model (by Zitzlsperger et al); a three-bond scission model (by Haneman et al); and a p-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified p-bonded chain model (by Himpsel et al, 1984), by analyzing low-energy electron diffraction (LEED) I-V curves measured earlier. Using the efficient automated tensor LEED technique, the models can be refined to a much greater degree than with earlier methods of LEED analysis. This study distinctly favors the earlier modified ... continued below

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Xu, Geng; Deng, Bingcheng; Yu, Zhaoxian; Tong, S.Y.; Van Hove, M.A.; Jona, F. et al. March 1, 2004.

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New or modified models have been proposed for the much-studied Si(111)-(2x1) surface structure, including: a reverse-tilted p-bonded chain model (by Zitzlsperger et al); a three-bond scission model (by Haneman et al); and a p-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified p-bonded chain model (by Himpsel et al, 1984), by analyzing low-energy electron diffraction (LEED) I-V curves measured earlier. Using the efficient automated tensor LEED technique, the models can be refined to a much greater degree than with earlier methods of LEED analysis. This study distinctly favors the earlier modified p-bonded chain model, but with strongly enhanced vibrations. To compare models that have different numbers of adjustable free parameters a Hamilton ratio test is used: it can distinguish between improvement due to a better model and improvement due only to more parameters.

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OSTI as DE00840041

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  • Journal Name: Physical Review B; Journal Volume: 7004; Journal Issue: 4; Other Information: Submitted to Physical Review B: Volume 7004, No.4; Journal Publication Date: 07/2004

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  • Report No.: LBNL--54667
  • Grant Number: AC03-76SF00098
  • Office of Scientific & Technical Information Report Number: 840041
  • Archival Resource Key: ark:/67531/metadc777107

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  • March 1, 2004

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  • Dec. 3, 2015, 9:30 a.m.

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  • June 15, 2016, 1:14 p.m.

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Xu, Geng; Deng, Bingcheng; Yu, Zhaoxian; Tong, S.Y.; Van Hove, M.A.; Jona, F. et al. The atomic structure of the cleaved Si(111)-(2x1) surface refined by dynamical LEED, article, March 1, 2004; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc777107/: accessed October 15, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.