ASYMMETRIC PHASE-DIAGRAM AND COVERAGE DEPENDENT EFFECTIVE PAIR INTERACTIONS FOR HYDROGEN ON CLOSE-PACKED METAL-SURFACES

Citation:
Sun, SN, Chou MY.  1993.  ASYMMETRIC PHASE-DIAGRAM AND COVERAGE DEPENDENT EFFECTIVE PAIR INTERACTIONS FOR HYDROGEN ON CLOSE-PACKED METAL-SURFACES, Jan. Surface Science. 280:415-429., Number 3

Abstract:

The asymmetry in the phase diagram of the H/Ru(001) system is studied by assuming a lattice gas model for the chemisorbed hydrogen and using the cluster variation method. Ground state analysis of the ordered structures shows that the effective pair interaction for the next-nearest neighbors has to be repulsive. We also found that the order-disorder transition temperatures and hence the phase diagram are very sensitive to upsilon3, the ratio of the effective next-nearest to nearest neighbor interactions of H adatoms. The asymmetry in the phase diagram, which cannot be accounted for by the adsorbate relaxation model by Persson [Surf. Sci. 258 (1991) 451], is attributed to the coverage dependence of the effective pair interactions. By assuming a simple piecewise linear dependence of upsilon3 on the chemical potential, we constructed an asymmetric phase diagram which is in excellent agreement with the experimental data. The model studied can be applied to the H/Pd(111) system directly and can be easily generalized for other close-packed metal surfaces.

Notes:

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