AVS 45th International Symposium
    Surface Science Division Thursday Sessions
       Session SS-ThP

Paper SS-ThP30
LEED Study of the Relaxation of Cu(211)

Thursday, November 5, 1998, 5:30 pm, Room Hall A

Session: Surface Science Division Poster Session
Presenter: Th. Seyller, Pennsylvania State University
Authors: Th. Seyller, Pennsylvania State University
R.D. Diehl, Pennsylvania State University
F. Jona, State University of New York, Stony Brook
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A low-energy electron diffraction study of the vicinal Cu(211) surface has been carried out at 300 K. The experiments were carried out at normal incidence to the (211) planes and the calculations were carried out using the CHANGE program@footnote 1@ which is capable of calculating intensities for surface structures which have small interlayer spacings. The results indicate a large (15 percent) contraction of the top layer Cu atoms and essentially bulk spacings for deeper layers. The large contraction of the top layer agrees very well with a first principles calculation for Cu(211).@footnote 2@ However, the first-principles calculation as well as earlier embedded-atom model calculations@footnote 3@ predict large relaxations of the deeper layers as well. These discrepancies will be discussed in light of structure determinations for other vicinal surfaces. @FootnoteText@ @footnote 1@D. Jepsen, in "Determination of Surface Structure by LEED" edited by P.M. Marcus and F. Jona, Plenum Press 1984, p.17. @footnote 2@C.Y. Wei, Steven P. Lewis, E.J. Mele and Andrew M. Rappe, Phys. Rev. B 57 (1998) 10062. @footnote 3@S. Durukanoglu, A. Kara and T. S. Rahman, Phys. Rev. B 55 (1997) 13894.