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Brazilian Journal of Physics

What do Monte Carlo simulations tell us about compressible Ising models?

D. P. Landau

Published Sep 1, 2006• 4 citations
Publisher

Abstract

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.

DOI
10.1590/s0103-97332006000500010

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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.
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.
We take advantage of recent improvements in the grand canonical Hybrid Monte Carlo (HMC) algorithm, to perform a precision study of the single-particle gap in the hexagonal Hubbard model, with on-site electron-electron interactions. After carefully controlled analyses of the Trotter error, the thermodynamic limit, and finite-size scaling with inverse temperature, we find a critical coupling of Uc/κ=3.835(14)U_c/κ=3.835(14)Uc​/κ=3.835(14) and the critical exponent ν=1.181(43)ν=1.181(43)ν=1.181(43) for the semimetal-antiferromagnetic Mott insulator quantum phase transition in the hexagonal Hubbard Model. Based on these results, we provide a unified, comprehensive treatment of all operators that contribute to the anti-ferromagnetic, ferromagnetic, and charge-density-wave structure factors and order parameters of the hexagonal Hubbard Model. We expect our findings to improve the consistency of Monte Carlo determinations of critical exponents. We perform a data collapse analysis and determine the critical exponent β=0.898(37)β=0.898(37)β=0.898(37). We consider our findings in view of the SU(2)SU(2)SU(2) Gross-Neveu, or chiral Heisenberg, universality class. We also discuss the computational scaling of the HMC algorithm. Our methods are applicable to a wide range of lattice theories of strongly correlated electrons. The Ising model, a simple statistical model for ferromagnetism, is one such theory. There are analytic solutions for low dimensions and very efficient Monte Carlo methods, such as cluster algorithms, for simulating this model in special cases. However most approaches do not generalise to arbitrary lattices and couplings. We present a formalism that allows one to apply HMC simulations to the Ising model, demonstrating how a system with discrete degrees of freedom can be simulated with continuous variables.
We study the phase diagram of the two-dimensional fully frustrated XY model (FFXY) and of two related models, a lattice discretization of the Landau-Ginzburg-Wilson Hamiltonian for the critical modes of the FFXY model, and a coupled Ising-XY model. We present Monte Carlo simulations on square lattices L × L , L ≲ 10 3 . We show that the low-temperature phase of these models is controlled by the same line of Gaussian fixed points as in the standard XY model. We find that, if a model undergoes a unique transition by varying temperature, then the transition is of first order. In the opposite case we observe two very close transitions: a transition associated with the spin degrees of freedom and, as temperature increases, a transition where chiral modes become critical. If they are continuous, they belong to the Kosterlitz-Thouless and to the Ising universality class, respectively. Ising and Kosterlitz-Thouless behavior is observed only after a preasymptotic regime, which is universal to some extent. In the chiral case, the approach is nonmonotonic for most observables, and there is a wide region in which finite-size scaling is controlled by an effective exponent ν eff ≈ 0.8. This explains the result ν ≈ 0.8 of many previous studies using smaller lattices.