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Journal of the Physical Society of Japan

Interface Approach to Phase Transitions and Ordering by Monte Carlo Simulations and Its Applications to Three-Dimensional Antiferromagnetic Potts Models

Yohtaro Ueno, Gang Sun, Ikuo Ono

Published Apr 1, 1989• 47 citations

Abstract

We develop an interface approach to bulk phase transitions and ordered states by using Monte Garlo simulations, and apply it to antiferromagnetic q -state Potts models with q =3∼6 on the simple cubic lattice. A stiffness exponent a defined by Δ F ∼ L a , where Δ F is the interface free energy for a system of size L , is introduced as a measure of the stiffness of the ordered phase against an external stress. Applying finite-size scaling to Δ F and to the squared order parameter enable one to determine each of T c , ν, β and γ in order where T c is the critical temperature and the others are critical exponents. This approach also provides a means to study properties of the ordered state through a and interface profiles. In the q =3 and 4 models the estimated exponents ν, β, γ and a indicate new universality classes. The q =5 model shows a phase transition, while the q =6 model does not. The q =3∼5 models have non-integer values of a at low temperatures. The phase transitions in these models are confirmed to be due to entropy gains.

DOI: 10.1143/jpsj.58.1162

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We develop an interface approach to bulk phase transitions and ordered states by using Monte Garlo simulations, and apply it to antiferromagnetic q -state Potts models with q =3∼6 on the simple cubic lattice. A stiffness exponent a defined by Δ F ∼ L a , where Δ F is the interface free energy for a system of size L , is introduced as a measure of the stiffness of the ordered phase against an external stress. Applying finite-size scaling to Δ F and to the squared order parameter enable one to determine each of T c , ν, β and γ in order where T c is the critical temperature and the others are critical exponents. This approach also provides a means to study properties of the ordered state through a and interface profiles. In the q =3 and 4 models the estimated exponents ν, β, γ and a indicate new universality classes. The q =5 model shows a phase transition, while the q =6 model does not. The q =3∼5 models have non-integer values of a at low temperatures. The phase transitions in these models are confirmed to be due to entropy gains.

We study the q-state Potts model on the simple cubic lattice with ferromagnetic interactions along one lattice direction, and antiferromagnetic interactions along the two other directions. As the temperature T decreases, the system undergoes a second-order phase transition that fits in the universality class of the 3D O(n) model with n=q-1. This conclusion is based on the estimated critical exponents, and histograms of the order parameter. At even smaller T we find, for q=4 and 5, a first-order transition to a phase with a different type of long-range order. This long-range order dissolves at T=0, and the system effectively reduces to a disordered two-dimensional Potts antiferromagnet. These results are obtained by means of Monte Carlo simulations and finite-size scaling.

Computer simulation of the three-component Potts model on a hexagonal lattice was carried out using the Monte Carlo method. Systems with linear dimensions L × L = N, L = 10–320 in units of interatomic distances are considered. Based on the theory of finite-size scaling, the static critical exponents of heat capacity α, susceptibility γ, magnetization β, and correlation radius ν are calculated. The data we obtained confirm that in the considered Potts model on a hexagonal lattice, a second-order phase transition is observed with critical exponents corresponding to the universality class of the three-component Potts model.

Monte Carlo simulations are performed to analyze phase transitions in three-dimensional systems described by the 3-state Potts model with nonmagnetic impurities. Numerical results are presented for systems with spin concentrations p = 1.00, 0.95, 0.90, 0.80, 0.70, and 0.65 on lattices of size L varying between 20 and 44. Binder’s cumulant analysis shows that the introduction of quenched disorder in the form of non-magnetic impurities induces a crossover from first-order to second-order phase transition. The finite-size scaling method is used to calculate the static critical exponents α, γ, β, and ν for specific heat, susceptibility, magnetization, and correlation length, respectively.

The phase transitions in 2D ferro- and antiferromagnetic Potts models with number of spin states q = 3 on a triangular lattice are investigated by the cluster and classical Monte Carlo methods. Systems with linear sizes L = 20–120 are considered. Fourth-order Binder cumulants and histogram data analysis are used to show that second- and first-order phase transitions are observed in the ferromagnetic and antiferromagnetic Potts models, respectively. The static critical indices are calculated for specific heat α, susceptibility γ, magnetization β, and correlation length ν on the basis of finite-size scaling theory for a ferromagnetic Potts model.

Abstract Computer simulation of the three-component Potts model on a hexagonal lattice was carried out using the Monte Carlo method. Systems with linear dimensions L × L = N, L = 20–320 in units of interatomic distances are considered. Based on the theory of finite-size scaling, the static critical exponents of heat capacity α, susceptibility γ, magnetization β, and correlation radius ν are calculated. The data we obtained confirm that in the considered Potts model on a hexagonal lattice, a second-order phase transition is observed with critical exponents corresponding to the universality class of the three-component Potts model.

We have performed large-scale numerical simulations for the ± J Ising model on the simple cubic and the square lattices with asymmetric weight of ferromagnetic and antiferromagnetic bonds. The Monte Carlo renormalization group method is used to estimate T c , γ/ν, β/ν and ν at various points along the phase boundary between ferromagnetic and paramagnetic phases including the tricritical point. The obtained values of T c and the resulting phase diagrams of the simple cubic and the square lattices are much more accurate than those estimated so far. In the simple cubic lattice, we find evidence for the possibility that universality of the ferromagnetic critical exponents holds along the critical line except at the tricritical point, while weak universality holds even at the tricritical point. Weak universality seems to hold also in the square lattice.