1988
DOI: 10.1116/1.575179
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Low-energy electron diffraction analysis of the Si(111)7×7 structure

Abstract: We have used the dynamical theory of low-energy electron diffraction to analyze data of the Si(111)7×7 surface and determined the atomic structure. The method includes the use of symmetrized wave functions in real and reciprocal spaces. Individual atomic coordinates for the first five atomic planes (containing 200 atoms) are determined. The low-energy electron diffraction optimized structure shows an oscillatory relaxation: atomic planes with stretched bonds followed by planes with compressed bonds. Geometric … Show more

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Cited by 217 publications
(35 citation statements)
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“…Robinson et al [60], the LEED study by Tong et al [61], and the STM study by Hamers et al [62] confirmed and refined this model, which is now widely accepted.…”
Section: The Si(111)7×7 Surface: Spatial and Electronic Structuresupporting
confidence: 53%
“…Robinson et al [60], the LEED study by Tong et al [61], and the STM study by Hamers et al [62] confirmed and refined this model, which is now widely accepted.…”
Section: The Si(111)7×7 Surface: Spatial and Electronic Structuresupporting
confidence: 53%
“…4b). These molecular adsorption processes are plausible because the typical Cl-to-Cl separations along the C@C bond (3.1 Å ) and diagonally across the molecule (4.4 Å ) for PCE and TCE are physically compatible with the adatom-to-rest-atom separation (4.6 Å ) and adatom-adatom separation across the dimer row (6.7 Å ) on the 7 · 7 surface [28]. Furthermore, dechlorination of PCE and TCE is found to be the major pathway at RT on Si(1 1 1)7 · 7 ( Fig.…”
Section: Discussionmentioning
confidence: 92%
“…This preference could also be understood in terms of the polarity of the adsorbate and the relative electronegativity of the substrate Si atoms. However, the follow-up chlorine elimination as observed on Cu(1 0 0) [26] would not be feasible on Si(1 1 1)7 · 7 at RT because the Si-Si bond distances between Si atoms with dangling bonds are not physically compatible for further Cl abstraction from the non-ipso C. In particular, the distances between two adatoms (6.65-7.68 Å ) and between an adatom and a rest-atom (4.56 Å ) on the 7 · 7 surface [27,28] are considerably greater than the molecular dimension of TCE with C@C and C-Cl bond lengths of 1.34 Å and 1.73 Å respectively [29]. Although breakage of the back-bond (between an adatom and a pedestal atom with a typical separation of 2.36 Å [28,29]) has been proposed earlier as a viable mechanism for the adsorption of electronegative adsorbates [30,31], such a process would be more likely at elevated temperatures.…”
Section: Resultsmentioning
confidence: 98%
“…The positions of the surface atoms in the Si (111)-(7 × 7) reconstruction have been studied experimentally by lowenergy electron diffraction (LEED) [10] as well as theoretically [11]. The 12 adatoms and 6 restatoms within one unit cell belong to 4 and 2 different symmetry types respectively.…”
mentioning
confidence: 99%