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arXiv:cond-mat/0409684 · Physical Review B

Critical behavior of the three-dimensional compressible Ising antiferromagnet at constant volume: A Monte Carlo study

Luigi Cannavacciuolo, David Paul Landau

Published Apr 8, 2005• 18 citations
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Abstract

Extensive Monte Carlo simulations in the semi-grand-canonical ensemble are used to study the critical behavior of a three-dimensional compressible Ising model with antiferromagnetic interactions under constant volume conditions. Elastic forces between spins are introduced by the Stillinger-Weber potential and energy parameters are chosen in such a way that antiparallel spin ordering is favored, analogous to the antiferromagnetic coupling in the rigid Ising Hamiltonian. All the quantities analyzed strongly indicate that the system remains in the universality class of the standard (rigid) three-dimensional Ising model, in contrast with theoretical predictions.

DOI
10.1103/physrevb.71.134104

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Extensive Monte Carlo simulations in the semi-grand-canonical ensemble are used to study the critical behavior of a three-dimensional compressible Ising model with antiferromagnetic interactions under constant volume conditions. Elastic forces between spins are introduced by the Stillinger-Weber potential and energy parameters are chosen in such a way that antiparallel spin ordering is favored, analogous to the antiferromagnetic coupling in the rigid Ising Hamiltonian. All the quantities analyzed strongly indicate that the system remains in the universality class of the standard (rigid) three-dimensional Ising model, in contrast with theoretical predictions.
With Monte Carlo simulations, we investigate short-time critical dynamics of the three-dimensional antiferromagnetic Ising model with a globally conserved magnetization m(s) (not the order parameter). From the power law behavior of the staggered magnetization (the order parameter), its second moment and the autocorrelation, we determine all static and dynamic critical exponents as well as the critical temperature. The universality class of m(s)=0 is the same as that without a conserved quantity, but the universality class of nonzero m(s) is different.
Monte Carlo simulations have begun to illuminate the nature of phase transitions and universality classes for compressible Ising models. A comprehensive analysis of a Landau-Ginsburg Wilson hamiltonian for systems with elastic degrees of freedom predicts that there should be four cases with different behavior, depending upon symmetries and thermodynamic constraints. We shall describe the results of careful Monte Carlo simulations for a simple compressible Ising model that can be easily modified to correspond to each of the four cases.
We study the three-dimensional Ising model at the critical point in the fixed-magnetization ensemble, by means of the recently developed geometric cluster Monte Carlo algorithm. We define a magnetic-field-like quantity in terms of microscopic spin-up and spin-down probabilities in a given configuration of neighbors. In the thermodynamic limit, the relation between this field and the magnetization reduces to the canonical relation M(h). However, for finite systems, the relation is different. We establish a close connection between this relation and the probability distribution of the magnetization of a finite-size system in the canonical ensemble.
Phase transitions and critical characteristics of the layered antiferromagnetic Ising model in the case of a cubic lattice with next-nearest-neighbor intralayer interactions are studied in the framework of the Monte Carlo method implementing the replica algorithm. The characteristics of the phase transitions are analyzed within the histogram method and with the Binder cumulants. For the model under study, it is found that the transition from the superantiferromagnetic phase to the paramagnetic one is a second order phase transition. The static critical exponents for the specific heat α, susceptibility γ, order parameter β, correlation radius ν, and the Fisher exponent η are calculated using the finite-size scaling theory. It is shown that the three-dimensional Ising model for the cubic lattice with next-nearest-neighbor interactions belongs to the same universality class of critical behavior as the completely frustrated three-dimensional Ising model.