Geometry of the Au(110)-(1 x 2) missing-row clean surface: A New LEED and DFT study

In this work we report on a very accurate low-energy electron diffraction (LEED) and a DFT study of Au(110)-(1 x 2) in order to determine its surface geometry. The LEED results indicate a surface missing row reconstruction with a large contraction of (-0.29 +/- 0.02) angstrom, a pairing in the second layer (0.06 +/- 0.05) angstrom and in the fourth layer (0.07 +/- 0.04) angstrom, and a buckling in the third layer of 0.30 angstrom and in the fifth layer of 0.01 angstrom. These LEED results are in very good agreement with those found by the OFT calculations. (C) 2009 Elsevier B.V. All rights reserved.