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