Abstract
As a model for the adsorption of hydrogen on Pd(100), we consider a square lattice gas with nearest neighbor repulsive and next nearest neighbor attractive interactions. By Monte Carlo methods we obtain predictions for adsorption isotherms, adsorption energies, LEED intensities associated with the c(2 × 2) structure, and phase diagrams. The effect of additional three-body forces and third nearest neighbor forces is also studied, and we show that additional ordered phases may occur such as (2 × 1), (2 × 2), (4 × 2), (4 × 4) and even incommensurate structures. Such phases might be realized in other adsorbate systems. A detailed comparison of our calculations with the experiments of Behm et al. on the H on Pd( uncertainty about the effective hydrogen-hydrogen interactions.
Published Version
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