Abstract
We study a model of interacting lattice gases M and X on two interpenetrating square sublattices with nearest neighbor attaction ϕ MX and next nearest neighbor repulsion ϕ XX in the X sublattice. By calculating ground-state energies of the relevant lattice gas phases LG, M, X, MX,c(2×2) X andc(2×2) M2X we obtain ground-state phase diagrams for various values of R ≡ ϕ XX /ϕ MX . Standard Monte Carlo simulation techniques are applied to investigate the lattice gas models at nonzero temperatures for the caseR=−0.5. The simulations are performed in the grand canonical ensemble with the chemical potentials μ M , μ X and temperatureT as independent variables. From adsorption isotherms θ M (μ M , μ X ) and θ X (μ M , μ X ) various phase transition, of first and second order between different lattice gas phases are identified. We calculate phase diagrams for the caseR=−0.5, which are compared to corresponding phase diagrams forR=0 andR=−1. Finally we discuss the applicability of such lattice gas models for the description of cosegregation processes.
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Uebing, C. Ordering in lattice gases with competing interactions on interpenetrating square sublattices. Z. Physik B - Condensed Matter 92, 389–398 (1993). https://doi.org/10.1007/BF01308759
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DOI: https://doi.org/10.1007/BF01308759