A contribution to the structure analysis of the Au(110) surface

Determination of the Geometry of the Reconstructed Au(110) Surface with First Principles Total-Energy Calculations

“…Table IV summarizes the calculated surface energies and work functions for the (1 x 1) and (1 X 2) surfaces in both relaxed and unrelaxed configurations. We find that the missing- LEED [4] -20 + 2 + 2 8 0.07 low-energy ion scattering [7] -15 to - row surface is energetically more stable than the (1 x 1) surface by -0.07 Jim2. This energy difference as well as the relaxation energy form only a small part (--5%) of the total surface energy.…”

Real-Space Determination of Atomic Structure of the Si(111)-3×3R30°-Au Surfa

“…nitely separated from the single-scattering peak, as observed in conventional alkali-ion scattering 12,13 and interpreted as due to multiple scattering involving more than two large-angle scattering processes, can be minimized in ALICISS.…”

Ion Scattering Spectroscopy

“…If a three-dimensional scattering program such as MARLOWE is available, the corresponding scattering intensities can be calculated, but virtually only for heavy projectiles and forward scattering, because of the cost of the computer time. This method was used, for example, to determine the Au(llO) surface reconstruction with K+ scattering at a scattering angle of 70°.0 16 ) Extensive MARLOWE calculations (117) showed that only a missing row structure with layer contraction of 0.25 A and a small lateral shift of second-layer atoms gave good agreement with the experimental lOB Scattering Spectroscopy results. This model had been proposed earlier from LEED investigations.…”