Structural and thermodynamic properties of thermally equilibrated Pd-Au/Ru(0001) surface alloys are studied within the framework of lattice models based upon first-principles total energy calculations and scanning-tunneling-microscopy imaging of atomic structure. Pd-rich alloys form pseudomorphic solid-solution phases with pronounced chemical short-range order (SRO), consistent with the prediction of a low-temperature order-disorder transition to a (√3×√3)-R30^∘ ground state structure. Calculated and measured SRO parameters are found to be in excellent agreement and are quantitatively described by a lattice-model Hamiltonian dominated by short-ranged interactions.
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Sadigh et al. (1999) studied this question.
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