Structure determination of the Si(001)-(2 x 1)-H reconstruction by surface X-ray diffraction: Weakening of the dimer bond by the addition of hydrogen

E.M. Lauridsen, J. Baker, M. Nielsen, R. Feidenhans'l, G. Falkenberg, O. Bunk, J.H. Zeysing, R.L. Johnson

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    Abstract

    The atomic structure of the monohydride Si(001)-(2 x 1)-H reconstruction has been investigated by surface X-ray diffraction. Atomic relaxations down to the eighth layer have been determined. The bond length of the hydrogenated silicon dimers was found to be 2.47 +/- 0.02 Angstrom. which is longer than the dimer bond of the clean (2 x 1)-reconstructed Si(001) surface and also 5% longer than the bulk bond length of 2.35 Angstrom. The differences to the (2 x 1) structure of the clean surface are discussed in terms of the elimination of the weak pi-bond character of the dimer bond by the addition of hydrogen. (C) 2000 Elsevier Science B.V. All rights reserved.
    Original languageEnglish
    JournalSurface Science
    Volume453
    Issue number1-3
    Pages (from-to)18-24
    ISSN0039-6028
    DOIs
    Publication statusPublished - 2000

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