Segregation and interlayer relaxation at the NiPd(111) surface
LEED IV curves for the NiPd(111) surface. The solid lines are experimental data, whereas the dashed lines are the calculated curves for the best-fit model.
Illustration of the method by which uncertainties are estimated. factor is plotted versus vertical displacement, and the range of displacements for a change in corresponding to one standard deviation is indicated by the horizontal line.
BFS computation results comparing the lowering of energy for interlayer contractions in NiPd(111) and NiPd(100). These results are qualitatively consistent with the observed experimental differences in behavior for these alloys.
Best-fit values of the parameters for surface composition, second layer composition, first interlayer distance change, and second interlayer distance change.
Overall best final values of the compositions and interlayer distance changes, taking all data into account, along with their uncertainties.
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