Abstract
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 $(\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3})\ensuremath{-}R30\ifmmode^\circ\else\textdegree\fi{}$ 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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