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

摘要

In this work we report on a very accurate low-energy electron diffraction (LEED) and a DFT study of Au(110)-(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) A, a pairing in the second layer (0.06 ± 0.05) A and in the fourth layer (0.07 ± 0.04) A, and a buckling in the third layer of 0.30 A and in the fifth layer of 0.01 A. These LEED results are in very good agreement with those found by the DFT calculations.