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Physical review. B, Condensed matter

Potts models: Density of states and mass gap from Monte Carlo calculations

Nelson A. Alves, Bernd A. Berg, Ramon Villanova

Published Mar 1, 1991• 54 citations
Publisher

Abstract

Monte Carlo simulations are performed for first-order phase-transition models. The three-dimensional three-state Potts model has a weak first-order transition. For this model we calculate the density of states on ${\mathit{L}}^{3}$ block lattices (L up to size 36) and obtain high-precision estimates for the leading partition-function zeros. The finite-size-scaling analysis of the first zero exhibits the expected convergence of the critical exponent \ensuremath{\nu} toward 1/D for large L; in particular, we find \ensuremath{\nu}=2.955(26) from our two largest lattices. Analysis of our specific-heat ${\mathit{C}}_{\mathit{v}}$ data yields l=0.080 31(26) for the latent heat. Along another line of approach, we calculate the mass gap m=1/\ensuremath{\xi} (\ensuremath{\xi} is the correlation length) for cylindrical ${\mathit{L}}^{2}$${\mathit{L}}_{\mathit{z}}$ lattices (L up to 24 and ${\mathit{L}}_{\mathit{z}}$=256). The finite size-scaling analysis of these results is also consistent with the convergence of \ensuremath{\nu} toward 1/D, but that the limiting value is 1/D is not yet conclusively established. Some theoretical arguments favor \ensuremath{\nu}\ensuremath{\rightarrow}0 in case of a first-order transition in a cylindrical ${\mathit{L}}^{\mathit{D}\mathrm{\ensuremath{-}}1}$\ensuremath{\infty} geometry. Therefore, we also applied our approach to the 2D ten-state Potts model, which is known to have a strong first-order transition. In this case we find unambiguous evidence in favor of 1/D as the limiting value.

DOI
10.1103/physrevb.43.5846

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Monte Carlo simulations are performed for first-order phase-transition models. The three-dimensional three-state Potts model has a weak first-order transition. For this model we calculate the density of states on L3{\mathit{L}}^{3}L3 block lattices (L up to size 36) and obtain high-precision estimates for the leading partition-function zeros. The finite-size-scaling analysis of the first zero exhibits the expected convergence of the critical exponent \ensuremath{\nu} toward 1/D for large L; in particular, we find \ensuremath{\nu}=2.955(26) from our two largest lattices. Analysis of our specific-heat Cv{\mathit{C}}_{\mathit{v}}Cv​ data yields l=0.080 31(26) for the latent heat. Along another line of approach, we calculate the mass gap m=1/\ensuremath{\xi} (\ensuremath{\xi} is the correlation length) for cylindrical {\mathit{L}}^{2}$${\mathit{L}}_{\mathit{z}} lattices (L up to 24 and Lz{\mathit{L}}_{\mathit{z}}Lz​=256). The finite size-scaling analysis of these results is also consistent with the convergence of \ensuremath{\nu} toward 1/D, but that the limiting value is 1/D is not yet conclusively established. Some theoretical arguments favor \ensuremath{\nu}\ensuremath{\rightarrow}0 in case of a first-order transition in a cylindrical LD\ensuremath−1{\mathit{L}}^{\mathit{D}\mathrm{\ensuremath{-}}1}LD\ensuremath−1\ensuremath{\infty} geometry. Therefore, we also applied our approach to the 2D ten-state Potts model, which is known to have a strong first-order transition. In this case we find unambiguous evidence in favor of 1/D as the limiting value.
We have performed Monte Carlo simulations for the three-dimensional Ising model. Using histogram techniques, we calculate the density of states on L3{L}^{3}L3 block lattices up to size L=14. Statistical jackknife methods are employed to perform a thorough error analysis. We obtain high-precision estimates for the leading zeros of the partition function, which, using finite-size scaling, translate into \ensuremath{\nu}=0.6285\ifmmode\pm\else\textpm\fi{}0.0019. Along a different line of approach following recent work in lattice-gauge theories, we accurately determine the mass gap m=1/\ensuremath{\xi} (\ensuremath{\xi} correlation length) for cylindrical L2{L}^{2}L2Lz{L}_{z}Lz​ lattices (with Lz{L}_{z}Lz​=256 and L up to 12). The finite-size-scaling analysis of the mass-gap data leads to \ensuremath{\nu}=0.6321\ifmmode\pm\else\textpm\fi{}0.0019.
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 and critical phenomena in three-dimensional (3D) site-diluted 3-and 4-state Potts models is investigated by Monte-Carlo method based on the highly efficient Wolff algorithm. The systems with linear sizesL=20-44 at spin concentrationsp=1.00, 0.95, 0.90, 0.80, 0.70, 0.65 are explored. The second-order phase transition is shown to occur in the three-dimensional 3-state Potts model with nonmagnetic impurities. In the 4-state Potts model there are observed first-order phase transitions in weakly diluted state, when the model is strongly diluted the first-order phase transitions change to the second-order one. On the basis of the finite-size scaling theory static critical exponents of specific heatα, susceptibilityγ, magnetizationβ, and exponent of correlation radiusνfor the systems under study are calculated.
A new kind of finite-size phenomenon in the five-state Potts model in two dimensions, a ``false'' ground state, was recently reported by Katznelson and Lauwers based on Monte Carlo studies of large lattices. We reexamine the behavior of this weakly first-order system by performing extensive Monte Carlo simulations, and demonstrate that the ``novel'' states previously observed in internal-energy-distribution histograms tend to disappear when runs of sufficient length are used. We present evidence that very strong critical slowing down and a pseudodivergent correlation length are responsible for the observed effects. Our additional analysis of finite-size effects in the ten-state Potts model on small lattices (L\ensuremath{\le}10) shows a crossover of scaling from ${L}^{\mathrm{\ensuremath{-}}d}$ behavior (observed earlier on larger lattices) to a nonanalytic form. This result is used to discuss the observed nonanalytic scaling of thermodynamic quantities in the five-state Potts model.
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.
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.