Geometry of the Au(1 1 0)-(1 × 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(1 1 0)-(1 × 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)Å, a pairing in the second layer (0.06±0.05)Å and in the fourth layer (0.07±0.04)Å, and a buckling in the third layer of 0.30 Å and in the fifth layer of 0.01 Å. These LEED results are in very good agreement with those found by the DFT calculations.