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

The (110) surface of the alloy Au3Pd has been investigated by quantitative law-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 t he experimental and theoretical results indicate segregation of gold, resul ting in (nearly) pure Au in the two topmost layers. The surface is (1x2) mi ssing-row reconstructed similarly to Au(110), with a significant contractio n of the first interlayer spacing and a buckling in the third layer.