The energetics of the step faceting transition of Cu(001) [copper (001) surface] upon Cl (chloride) adsorption in contact with HCl (hydrogen chloride) solution is modeled in terms of a solid-on-solid model that incorporates both nearest-neighbor and next-nearest-neighbor interactions. It is shown that faceting of the closed packed [110] Cu(001) steps into step segments oriented along [010] directions of the Cu(001)-c(2×2)Cl can be explained by a strongly repulsive interaction between next-nearest-neighbor Cl atoms in the c(2×2) adlayer. The dynamics of kink motion along the [010]-oriented steps of the Cl-covered Cu(001) surface via attachment/detachment is studied with scanning tunneling microscopy. At some kink sites local dissolution takes place, whereas at other kink sites growth occurs. After correcting for the net local dissolution (or growth) process the kinks perform a one-dimensional random walk along the [010] oriented step segments.
Within the framework of a solid-on-solid model that incorporates nearest-͑͒ and next-nearest-neighbor ͑␦͒ interactions we have determined the free energy of the high-symmetry steps on a ͑001͒ surface of a cubic crystal. We have found a simple expression that allows one to determine the thermal roughening temperature T R of a ͑001͒ surface ͑2eIn a more refined analysis we have explicitly included step-edge overhangs. This results in a slightly lower thermal roughening temperature. Our results are also applicable to the two-dimensional Ising spin system.
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