Atomic structure of the cleaved Si(111)-(2 × 1) surface refined by dynamical LEED

Geng Xu; Bingcheng Deng; Zhaoxian Yu; S. Y. Tong; M. A. Van Hove; F. Jona; I. Zasada

doi:10.1103/PhysRevB.70.045307

Atomic structure of the cleaved Si(111)-(2 × 1) surface refined by dynamical LEED

Geng Xu
, Bingcheng Deng
, Zhaoxian Yu
, S. Y. Tong
, M. A. Van Hove
, F. Jona
, I. Zasada

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

17 Citations (Scopus)

Abstract

Several alternative models have been proposed for the much-studied Si(111)-(2 × 1) surface structure, including: A reverse-tilted π-bonded chain model [Zitzlsperger et al. Surf. Sci 377, 108 (1997)]; a three-bond scission model [by Haneman, Phys. Rev. 121, 1093 (1961)]; and a π-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified π-bonded chain model [Himpsel et al., Phys. Rev. B. 30, 2257 (1984)], by analyzing low-energy electron diffraction (LEED) intensity-voltage 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 π-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.
© 2004 American Physical Society

Original language	English
Article number	045307
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	70
Issue number	4
DOIs	https://doi.org/10.1103/PhysRevB.70.045307
Publication status	Published - Jul 2004
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

Funding

This work was supported in part by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098, and by the Research Grants Council of the Hong Kong Special Administrative Region, China, Project No. CityU 1238/02P.

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title = "Atomic structure of the cleaved Si(111)-(2 × 1) surface refined by dynamical LEED",

abstract = "Several alternative models have been proposed for the much-studied Si(111)-(2 × 1) surface structure, including: A reverse-tilted π-bonded chain model [Zitzlsperger et al. Surf. Sci 377, 108 (1997)]; a three-bond scission model [by Haneman, Phys. Rev. 121, 1093 (1961)]; and a π-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified π-bonded chain model [Himpsel et al., Phys. Rev. B. 30, 2257 (1984)], by analyzing low-energy electron diffraction (LEED) intensity-voltage 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 π-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. {\textcopyright} 2004 American Physical Society",

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AU - Xu, Geng

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AU - Van Hove, M. A.

AU - Jona, F.

AU - Zasada, I.

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N2 - Several alternative models have been proposed for the much-studied Si(111)-(2 × 1) surface structure, including: A reverse-tilted π-bonded chain model [Zitzlsperger et al. Surf. Sci 377, 108 (1997)]; a three-bond scission model [by Haneman, Phys. Rev. 121, 1093 (1961)]; and a π-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified π-bonded chain model [Himpsel et al., Phys. Rev. B. 30, 2257 (1984)], by analyzing low-energy electron diffraction (LEED) intensity-voltage 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 π-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. © 2004 American Physical Society

AB - Several alternative models have been proposed for the much-studied Si(111)-(2 × 1) surface structure, including: A reverse-tilted π-bonded chain model [Zitzlsperger et al. Surf. Sci 377, 108 (1997)]; a three-bond scission model [by Haneman, Phys. Rev. 121, 1093 (1961)]; and a π-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified π-bonded chain model [Himpsel et al., Phys. Rev. B. 30, 2257 (1984)], by analyzing low-energy electron diffraction (LEED) intensity-voltage 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 π-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. © 2004 American Physical Society

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M3 - RGC 21 - Publication in refereed journal

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JO - Physical Review B - Condensed Matter and Materials Physics

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ER -

Atomic structure of the cleaved Si(111)-(2 × 1) surface refined by dynamical LEED

Abstract

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