Surface structure and segregation profile of the alloy Au3Pd(110): Experiment and theory

The (110) surface of the alloy ${\mathrm{Au}}_{3}\mathrm{Pd}$ has been investigated by quantitative low-energy electron diffraction and low-energy ion scattering spectroscopy to determine the structure and composition of the first three atomic layers. The structure and the segregation profile have also been modeled by means of the embedded atom method, combined with Monte Carlo simulations. Both the experimental and theoretical results indicate segregation of gold, resulting in (nearly) pure Au in the two topmost layers. The surface is $(1\ifmmode\times\else\texttimes\fi{}2)$ missing-row reconstructed similarly to Au(110), with a significant contraction of the first interlayer spacing and a buckling in the third layer.