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- W1981153022 abstract "Surface reconstruction can be a spontaneous or adsorbate-induced phenomenon. The effect of chemisorption is the extensive restructuring of the substrate to form a completely new surface structure. Such a phase transition can be explained qualitatively by employing statistical models like the lattice-gas model. In this work we analyze in detail the two-position model introduced by Myshlyavtsev and Zhdanov [A.V. Myshlyavtsev, V.P. Zhdanov, J. Chem. Phys. 92 (1990) 3909]. The model is a simplified latticegas version of the HW(001) system, which presents a c(2 × 2) ordered structure below the critical temperature Tc. The phase diagram of the real system is reproduced only at low coverage (θ < 0.4). The phase diagram is obtained by the mean-field approximation as well as by Monte Carlo simulations through finite-size scaling techniques. Different kinds of situations can be observed depending on the characteristics of the metal-metal (J), adsorbate-adsorbate (ϵ) and metal-adsorbate (λ) interactions." @default.
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- W1981153022 date "1997-07-01" @default.
- W1981153022 modified "2023-10-08" @default.
- W1981153022 title "Adsorption-induced surface reconstruction: predictions of a simple model" @default.
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- W1981153022 doi "https://doi.org/10.1016/s0039-6028(97)00201-x" @default.
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