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Journal of Applied Physics

Monte Carlo study of critical behavior in the three-dimensional classical Heisenberg ferromagnet

Kun Chen, Alan M. Ferrenberg, David Paul Landau

Published May 15, 1993• 22 citations
Publisher

Abstract

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.

DOI
10.1063/1.353675

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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.
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).
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/kB{\mathit{k}}_{\mathit{B}}kB​Tc{\mathit{T}}_{\mathit{c}}Tc​=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.
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.
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.
Using spin-dynamics techniques we have performed large-scale computer simulations of the dynamic behavior of the L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L body-centered-cubic classical Heisenberg ferromagnet with L\ensuremath{\le}40 in the vicinity of the critical point Tc{\mathit{T}}_{\mathit{c}}Tc​. The temporal evolutions of spin configurations were determined numerically from coupled equations of motion for individual spins by a fourth-order predictor-corrector method with initial spin configurations generated by Monte Carlo methods. The space- and time-displaced spin-spin correlation functions and their space-time Fourier transforms were calculated to determine the neutron-scattering functions. We developed a dynamic finite-size scaling theory for the neutron-scattering function at Tc{\mathit{T}}_{\mathit{c}}Tc​ and used it to extract the dynamic critical exponent z. Within our resolution limit, the value of z was estimated to be 2.478(28), in excellent agreement with the dynamic scaling prediction, and dynamic scaling was found to be valid for momentum transfer q up to 0.4\ensuremath{\pi} in the (1,0,0) direction.
Using recently developed histogram techniques and an ultrafast multispin coding simulation algorithm, we have investigated the critical behavior of the d=3 simple-cubic Ising model. We have studied lattice sizes ranging from L=8 to 96 using between 3\ifmmode\times\else\texttimes\fi{}106{10}^{6}106 and 12\ifmmode\times\else\texttimes\fi{}106{10}^{6}106 Monte Carlo steps (complete lattice updates). By accurately measuring the finite-size behavior of several different thermodynamic quantities, we are able to determine the critical properties with a precision comparable to that obtained with Monte Carlo renormalization-group and sophisticated series-expansion techniques. The best estimate of the inverse critical temperature from our analysis is Kc{\mathit{K}}_{\mathit{c}}Kc​=0.221 659 5\ifmmode\pm\else\textpm\fi{}0.000 002 6. The advantages of the histogram technique are discussed, as are the potential problems that can arise at this level of resolution.