Summary Abstract: Structural analysis of the diamond C(111)‐(2×1) reconstructed surface by low‐energy electron diffraction

1988 ◽  
Vol 6 (3) ◽  
pp. 832-833 ◽  
Author(s):  
Erik C. Sowa ◽  
Glenn D. Kubiak ◽  
Richard H. Stulen ◽  
Michel A. Van Hove
2000 ◽  
Vol 07 (01n02) ◽  
pp. 15-19 ◽  
Author(s):  
I. ZASADA ◽  
M. A. VAN HOVE

The structure of Pt(111)+c(4×2)-2CO has been refined using the powerful capabilities of automated tensor LEED, in particular to determine hitherto-unexplored adsorbate-induced relaxations in the substrate. The refinement considerably improves the fit to experiment obtained in a previous structural analysis performed with low-energy electron diffraction (LEED). This study confirms that CO occupies both top and bridge sites. It finds a buckling of the outermost Pt layer, such that the Pt atoms bonded to CO molecules are raised out of the surface by 0.06±0.04 Å relative to the Pt atoms which do not bond to CO. The raised atoms have a spacing of 2.28±0.04 Å to the next Pt layer, expanded from the bulk spacing of 2.2655 Å, while the depressed Pt atoms have a reduced spacing of 2.22±0.04 Å to the next Pt layer. The second Pt layer itself shows minor buckling of 0.03±0.04 Å. No lateral relaxations in the substrate are detected within 0.1 Å. The CO molecules are perpendicular to the surface, with bond lengths of 1.12±0.04 Å and 1.19±0.04 Å in top and bridge sites, respectively. The C–Pd spacings, measured between bonding atoms, are 1.92±0.04 Å and 1.40±0.04 Å in top and bridge sites, respectively.


2020 ◽  
Vol 701 ◽  
pp. 121686
Author(s):  
Akio Noguchi ◽  
Yu Takamura ◽  
Takeshi Nakagawa ◽  
Eiji Rokuta ◽  
Seigi Mizuno

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