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Physical review. B, Condensed matter

High-accuracy Monte Carlo study of the three-dimensional classical Heisenberg ferromagnet

Pawel Peczak, Alan M. Ferrenberg, D. P. Landau

Published Mar 1, 1991• 286 citations
Publisher

Abstract

Using extensive Monte Carlo simulations, we study the equilibrium properties of the simple-cubic, classical Heisenberg ferromagnet. We employ very long runs for L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L lattices to obtain high-precision data for the magnetization probability distribution. Using finite-size scaling for L\ensuremath{\le}24 and an optimized multiple-histogram data analysis, we obtain an accurate value of the inverse critical temperature J/${\mathit{k}}_{\mathit{B}}$${\mathit{T}}_{\mathit{c}}$=0.6929\ifmmode\pm\else\textpm\fi{}0.0001, which is higher than previously accepted estimates. Calculated values of various static exponents are in excellent agreement with renormalization-group and \ensuremath{\epsilon}-expansion predictions.

DOI
10.1103/physrevb.43.6087

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Using extensive Monte Carlo simulations, we study the equilibrium properties of the simple-cubic, classical Heisenberg ferromagnet. We employ very long runs for L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L lattices to obtain high-precision data for the magnetization probability distribution. Using finite-size scaling for L\ensuremath{\le}24 and an optimized multiple-histogram data analysis, we obtain an accurate value of the inverse critical temperature J/{\mathit{k}}_{\mathit{B}}$${\mathit{T}}_{\mathit{c}}=0.6929\ifmmode\pm\else\textpm\fi{}0.0001, which is higher than previously accepted estimates. Calculated values of various static exponents are in excellent agreement with renormalization-group and \ensuremath{\epsilon}-expansion predictions.
Using both recently developed cluster-algorithm and histogram methods, we have carried out a high-resolution Monte Carlo study of static critical properties of classical ferromagnetic Heisenberg models. Extensive Monte Carlo simulations were performed at several temperatures in the critical region, using an improved cluster-updating scheme, on L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L simple-cubic and body-centered-cubic systems with L\ensuremath{\le}40. Thermodynamic quantities as a function of temperature in the vicinity of the critical point were obtained by an optimized multiple-histogram method, and the critical temperature and static critical exponents were extracted using finite-size scaling. Our best estimates for the inverse critical temperatures are 0.693 035(37) for the simple-cubic system and 0.486 798(12) for the body-centered-cubic system. Estimated static critical exponents for both systems agree with each other within their respective error bars, and the mean estimates \ensuremath{\nu}=0.7048(30) and \ensuremath{\gamma}=1.3873(85) are also in excellent agreement with field-theoretic predictions 0.705(3) and 1.386(4).
The static critical properties of classical, isotropic Heisenberg ferromagnets have been studied numerically. Using an improved cluster algorithm we performed extensive Monte Carlo simulations on L×L×L simple cubic and body-centered cubic systems with L≤40 over a temperature range covering the critical region. Temperature dependences of thermodynamic quantities were determined with an optimized multiple-histogram method, and both critical temperatures and critical exponents were extracted from finite-size scaling of several different thermodynamic quantities. It was found that within their respective error bars the critical exponents for both ferromagnets agree with each other and with field theoretical predictions.
A transfer-matrix Monte Carlo technique is developed to compute the free energy of three-dimensional, classical Heisenberg ferromagnets. From the free energy of systems with periodic and antiperiodic boundary conditions, helicity moduli are calculated. From these the critical couplings for simple-cubic (sc) and face-centered-cubic lattices are estimated by use of finite-size scaling. For the simple-cubic lattice, the critical dimension of the surface magnetization is estimated with standard Monte Carlo methods, yielding a result in excellent agreement with the \ensuremath{\epsilon}-expansion work of Diehl and N\"usser.
While the three-dimensional Ising model has defied analytic solution, various numerical methods like Monte Carlo, Monte Carlo renormalization group, and series expansion have provided precise information about the phase transition. Using Monte Carlo simulation that employs the Wolff cluster flipping algorithm with both 32-bit and 53-bit random number generators and data analysis with histogram reweighting and quadruple precision arithmetic, we have investigated the critical behavior of the simple cubic Ising Model, with lattice sizes ranging from 16^{3} to 1024^{3}. By analyzing data with cross correlations between various thermodynamic quantities obtained from the same data pool, e.g., logarithmic derivatives of magnetization and derivatives of magnetization cumulants, we have obtained the critical inverse temperature K_{c}=0.221654626(5) and the critical exponent of the correlation length ν=0.629912(86) with precision that exceeds all previous Monte Carlo estimates.
Using a Monte Carlo procedure with a self-consistent-field boundary condition, the magnetization of a simple cubic classical Heisenberg ferromagnet with nearest-neighbor interactions only is calculated. For reduced temperatures and reduced fields in the range $0.02<~|\frac{T}{{T}_{c}}\ensuremath{-}1|$, HJ< 0.5\frac{H}{J}<~0.5JH​< 0.5 the data of this computer experiment can be described in terms of the "effective" critical exponents $0.31<~\ensuremath{\beta}<~0.35$, $1.33<~\ensuremath{\gamma}<~1.39$, and $4.9<~\ensuremath{\delta}<~5.3$. Although the present data are not very close to the critical point they do obey the homogeneity requirement and determine the scaling function rather precisely. This function agrees very well with the scaling function for the face-centered-cubic classical Heisenberg magnet derived recently by Milo\ifmmode \check{s}\else \v{s}\fi{}evi\ifmmode \acute{c}\else \'{c}\fi{} and Stanley using high-temperature---series-expansion techniques. This agreement supports their hypothesis that neither critical exponents nor the scaling function depend on the lattice structure in the Heisenberg model.
We have simulated the three-dimensional Heisenberg model on simple cubic lattices, using the single-cluster Monte Carlo update algorithm. The expected pronounced reduction of critical slowing down at the phase transition is verified. This allows simulations on significantly larger lattices than in previous studies and consequently a better control over systematic errors. In one set of simulations we employ the usual finite-size scaling methods to compute the critical exponents \ensuremath{\nu},\ensuremath{\alpha},\ensuremath{\beta},\ensuremath{\gamma},\ensuremath{\eta} from a few measurements in the vicinity of the critical point, making extensive use of histogram reweighting and optimization techniques. In another set of simulations we report measurements of improved estimators for the spatial correlation length and the susceptibility in the high-temperature phase, obtained on lattices with up to 1003{100}^{3}1003 spins. This enables us to compute independent estimates of \ensuremath{\nu} and \ensuremath{\gamma} from power-law fits of their critical divergencies.