REFINEMENT OF THE${\rm{Si}}(111) \mbox{-} (\surd{3} \times \surd{3}){\rm{R30}}^\circ - {\rm{Ag}}$STRUCTURE BY LOW-ENERGY ELECTRON DIFFRACTION

H. Over, S.Y. Tong, J. Quinn and F. Jona
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H. Over: Department of Physics and Laboratory of Surface Studies, University of Wisconsin-Milwaukee, Milwaukee, WI 53201, USA
S.Y. Tong: Department of Physics and Laboratory of Surface Studies, University of Wisconsin-Milwaukee, Milwaukee, WI 53201, USA
J. Quinn: Department of Materials Science and Engineering, State University of New York, Stony Brook, NY 11794–2275, USA
F. Jona: Department of Materials Science and Engineering, State University of New York, Stony Brook, NY 11794–2275, USA

Surface Review and Letters (SRL), 1995, vol. 02, issue 04, 451-457

Abstract: We have reinvestigated the bond geometry of the${\rm{Si}}(111) \mbox{-} (\surd{3} \times \surd{3}){\rm{R30}}^\circ - {\rm{Ag}}$surface by means of low-energy electron diffraction using a much larger experimental data set than that previously used. The${\rm{Si}}(111) \mbox{-} (\surd{3}\times \surd{3}){\rm{R30}}^\circ - {\rm{Ag}}$surface consists of a$(\surd{3}\times \surd{3}){\rm{R30}}^\circ$lattice ofAgatoms which replaces the topmostSiatoms, and forces the remainingSiatoms to form trimers. TheAg-Agbond length turned out to be3.47±0.12 Å. TheAgatoms are laterally displaced from the bulk positions of theSiatoms which they have replaced by 0.53 Å resulting in aAg-Sibond length of2.36±0.17 Å. The missing topSilayer and the formation ofSitrimers lead to strong distortions in deeperSilayers, most notably a buckling in the third and fourthSilayer with a magnitude of about 0.35 Å and 0.2 Å, respectively. Applying the concept of ‘split positions’, the low Debye temperature ofAghas been interpreted as being caused by strong in-plane (either static or dynamic) movements of the Ag atoms perpendicular to theAg-Sibonding.

Date: 1995
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DOI: 10.1142/S0218625X95000406

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