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Physical Review E

Lattice gas with nearest- and next-to-nearest-neighbor exclusion

Xiaomei Feng, Henk W. J. Blöte, Bernard Nienhuis

Published Jun 30, 2011• 31 citations
Publisher

Abstract

We investigate a hard-square lattice gas on the square lattice by means of transfer-matrix and Monte Carlo methods. The size of the hard squares is equal to two lattice constants, so the simultaneous occupation of nearest-neighbor sites as well as of next-to-nearest-neighbor sites is excluded. Near saturation of the particle density, this system is known to undergo a phase transition to one out of four partially ordered phases. We find that this transition displays strong finite-size corrections to scaling and that the correlation functions deviate from isotropy to rather large distances. In contrast with an earlier study, we find that the critical temperature exponent of the transition is not Ising-like.

DOI
10.1103/physreve.83.061153

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We investigate a hard-square lattice gas on the square lattice by means of transfer-matrix and Monte Carlo methods. The size of the hard squares is equal to two lattice constants, so the simultaneous occupation of nearest-neighbor sites as well as of next-to-nearest-neighbor sites is excluded. Near saturation of the particle density, this system is known to undergo a phase transition to one out of four partially ordered phases. We find that this transition displays strong finite-size corrections to scaling and that the correlation functions deviate from isotropy to rather large distances. In contrast with an earlier study, we find that the critical temperature exponent of the transition is not Ising-like.
Using transfer matrix and finite-size scaling methods, we study the thermodynamic behavior of a lattice gas with two kinds of particles on the square lattice. Only excluded volume interactions are considered, so that the model is athermal. Large particles exclude the site they occupy and its four first neighbors, while small particles exclude only their site. Two thermodynamic phases are found: a disordered phase where large particles occupy both sublattices with the same probability and an ordered phase where one of the two sublattices is preferentially occupied by them. The transition between these phases is continuous at small concentrations of the small particles and discontinuous at larger concentrations, both transitions are separated by a tricritical point. Estimates of the central charge suggest that the critical line is in the Ising universality class, while the tricritical point has tricritical Ising (Blume-Emery-Griffiths) exponents. The isobaric curves of the total density as functions of the fugacity of small or large particles display a minimum in the disordered phase.
We present a transfer-matrix scaling study of a hard-square lattice-gas model with an exclusion shell extending up to second-nearest neighbors, and with a uniaxial finite repulsion active at third-nearest-neighbor separations. The phase diagram, as a function of temperature and chemical potential, shows three distinct regions bounded by two merging critical lines. At low temperature the system undergoes a transition to an ordered phase whose c(4\ifmmode\times\else\texttimes\fi{}2) structure is characterized---within this calculation---by the asymptotic degeneracy of the four largest eigenvalues of the transfer matrix. At high temperature this phase is reached from the disordered state via an intermediate, degenerate phase which, on average, exhibits long-range order in one dimension only. These two transition regimes are found to be separated by a multicritical point which is likely to arise from the competition between interaction anisotropy and thermal-disordering effects. Evidence of anisotropic critical behavior is found in the correlation lengths exponent ratios, ${\ensuremath{\nu}}_{?}$/${\ensuremath{\nu}}_{\ensuremath{\perp}}$, which appear to vary continuously along both transition lines. However, the accuracy of the predictions we make for the thermodynamics of the model is still limited by sensitive finite-size effects which are presumably emphasized by the relatively extended range of the interactions.
An analytical expression for the boundary free energy of the Ising square lattice with nearest- and next-nearest-neighbor interactions is derived. The Ising square lattice with anisotropic nearest-neighbor ( J x and J y ) and isotropic next-nearest-neighbor ( J d ) interactions has an order-disorder phase transition at a temperature T = T c given by the condition e −2 J x / k b T c + e − 2 J y / k b T c + e −2( J x + J y )/ k b T c (2 − e −4 J d / k b T c ) = e 4 J d / k b T c . The critical line that separates the ordered (ferromagnetic) phase from the disordered (paramagnetic) phase is in excellent agreement with series expansion, finite scaling of transfer matrix and Monte Carlo results. For a vanishing next-nearest-neighbor interaction Onsager's famous result, i.e. sinh (2 J x / k b T c )sinh (2 J y / k b T c ) = 1, is recaptured.
We investigate the critical behaviour of hard-core lattice gases in four, five and six dimensions by means of Monte Carlo simulations. In order to suppress critical slowing down, we use a geometrical cluster Monte Carlo algorithm. In particular, nearest-neighbour-exclusion lattice gases on simple hypercubic lattices are investigated. These models undergo Ising-like ordering transitions where the majority of the lattice-gas particles settle on one of two sublattices. A finite-size-scaling analysis of the simulation data confirms that these lattice gases display classical critical behaviour. The results agree with the renormalization predictions at and above the upper critical dimensionality. In particular, the predicted value of the Binder cumulant is confirmed.
We explore the phase diagram of the O(n) loop model on the square lattice in the (x,n) plane, where x is the weight of a lattice edge covered by a loop. These results are based on transfer-matrix calculations and finite-size scaling. We express the correlation length associated with the staggered loop density in the transfer-matrix eigenvalues. The finite-size data for this correlation length, combined with the scaling formula, reveal the location of critical lines in the diagram. For n>>2 we find Ising-like phase transitions associated with the onset of a checkerboardlike ordering of the elementary loops, i.e., the smallest possible loops, with the size of an elementary face, which cover precisely one-half of the faces of the square lattice at the maximum loop density. In this respect, the ordered state resembles that of the hard-square lattice gas with nearest-neighbor exclusion, and the finiteness of n represents a softening of its particle-particle potentials. We also determine critical points in the range -2≤n≤2. It is found that the topology of the phase diagram depends on the set of allowed vertices of the loop model. Depending on the choice of this set, the n>2 transition may continue into the dense phase of the n≤2 loop model, or continue as a line of n≤2 O(n) multicritical points.
We present a finite-size-scaling study of a two-dimensional square-lattice-gas model with nearest-neighbor repulsion and next-nearest-neighbor attraction. This system may be used as a simplified model of adsorbates on transition-metal (100) surfaces. An accurate determination of the tricritical temperature is obtained by the utilization of the degeneracy of the three largest eigenvalues of the transfer matrix at a tricritical point. We obtain the phase diagram and critical and tricritical exponents, all quite consistent with previously known results. We also find that a recent conjecture relating the critical exponent $\ensuremath{\eta}$ to the correlation-length amplitude seems to work well even at the tricritical point.