P. Kaukasoina et al., STRUCTURAL DETERMINATION OF AN INTERMIXED (1X2) AU FILM ON PD(110) BYDYNAMICAL LOW-ENERGY ELECTRON-DIFFRACTION ANALYSIS, Surface science, 318(3), 1994, pp. 243-252
The geometric structure of a (1 x 2) Au film on Pd(110) has been deter
mined by dynamical low-energy electron-diffraction analysis. The conce
ntration profile of Au in the surface region is determined in the anal
ysis, and the results clearly reveal the presence of intermixed layers
beneath two layers of essentially pure Au. As for the optimum geometr
y of the film, the topmost layer is of the missing-row type, the secon
d layer is row-paired by 0.10 angstrom, the third layer is rumpled by
0.07 angstrom, and the first three interlayer spacings are relaxed by
DELTAd12 = -6.6%, DELTAd23 = + 5.1%, and DELTAd34 = + 3.6% relative to
the bulk-truncated substrate. (Deeper interlayer spacings are at or n
ear the bulk value.) The optimum geometry of the intermixed Au film di
ffers considerably from that of the (1 x 2) missing-row reconstruction
of bulk Au(110), but can be rationalized in terms of conservation of
volume density as a response to the 4.8% lattice mismatch between Au a
nd Pd.