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International Journal of Modern Physics C

CRITICAL DYNAMICS IN THE 3D SPIN-1/2 HEISENBERG MODEL: A DECOUPLED CELL MONTE CARLO STUDY

Cynthia J. Sisson

Published Jun 1, 1996• 1 citation
Publisher

Abstract

The three-dimensional spin-1/2 Heisenberg model on a simple cubic lattice is studied for ferromagnetic and antiferromagnetic interactions using the Decoupled Cell Method for quantum Monte Carlo. Results for the relaxation time τL are determined for both ferromagnetic and antiferromagnetic systems and found to be similar to those found for the classical (s → ∞) Heisenberg model. The scaling of τL with system size is used to extract the dynamical critical exponent z for the two systems. The values of z = 1.98 ± 0.12 for the ferromagnet and z = 1.94 ± 0.09 for the antiferromagnet are in good agreement with theoretical predictions and previous Monte Carlo studies of the classical Heisenberg model.

DOI
10.1142/s0129183196000399

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The three-dimensional spin-1/2 Heisenberg model on a simple cubic lattice is studied for ferromagnetic and antiferromagnetic interactions using the Decoupled Cell Method for quantum Monte Carlo. Results for the relaxation time τL are determined for both ferromagnetic and antiferromagnetic systems and found to be similar to those found for the classical (s → ∞) Heisenberg model. The scaling of τL with system size is used to extract the dynamical critical exponent z for the two systems. The values of z = 1.98 ± 0.12 for the ferromagnet and z = 1.94 ± 0.09 for the antiferromagnet are in good agreement with theoretical predictions and previous Monte Carlo studies of the classical Heisenberg model.
Employing Monte Carlo simulations, the equilibrium dynamic critical behavior or L×L×L simple cubic classical Heisenberg models with periodic boundary conditions are determined. From the long-time exponential decay of the time-displaced correlation function of the magnetization the linear (equilibrium) relaxation time τ is also determined. It is found that at the critical point Tc, τ grows like τ≂Lz with z=1.94±0.06. In the paramagnetic region a power-law divergence τ≂(T/Tc−1)−Δ was found with Δ=zν=1.38±0.04, which implies a dynamical critical exponent z=1.96±0.07. Both values are consistent with theoretical predictions and results of experimental studies concerning the dynamical critical behavior of Heisenberg magnets perturbed by order-parameter nonconserving forces.
Spin dynamics simulations have been used to study dynamic critical behavior of classical Heisenberg magnets. The temporal evolutions of the spin configurations were determined numerically from coupled equations of motion by a fourth-order predictor corrector method, with initial spin configurations generated by Monte-Carlo simulations. The neutron scattering function, S (q, ω), was calculated from the space and time displaced spin-spin correlation function and the dynamic critical exponent z was extracted using dynamic finite size scaling theory. For both ferromagnetic and antiferromagnetic models we find good agreement with theoretical predictions and experimental results.
We have carried out extensive Monte Carlo simulations of the dynamic critical behavior of L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L simple-cubic classical Heisenberg models with periodic boundary conditions. The equilibrium relaxation time \ensuremath{\tau} is determined from the long-time exponential decay of the time-displaced correlation function of the magnetization. Using finite-size scaling and corrections to scaling we find that at the critical point Tc{\mathit{T}}_{\mathit{c}}Tc​=(0.6929${)}^{\mathrm{\ensuremath{-}}1}$, \ensuremath{\tau} grows like \ensuremath{\tau}\ensuremath{\simeq}Lz{\mathit{L}}^{\mathit{z}}Lz with z=1.96(6). In the paramagnetic region we show that the relaxation time is represented by a universal scaling function \ensuremath{\tau}${\mathit{L}}^{\mathrm{\ensuremath{-}}\mathit{z}}$ vs (T/Tc{\mathit{T}}_{\mathit{c}}Tc​-1)${\mathit{L}}^{1/\ensuremath{\nu}}$ with z=1.96(6). This estimate is consistent with theoretical predictions and results of experimental studies concerning the dynamical critical behavior of Heisenberg magnets perturbed by order-parameter nonconserving dipolar interactions. We also describe how a simple over-relaxation algorithm of Creutz and of Brown and Woch can be incorporated into the Metropolis sampling method for the classical Heisenberg model, thereby significantly reducing the critical slowing down; the resultant correlation time varies as \ensuremath{\tau}\ensuremath{\sim}(T/Tc{\mathit{T}}_{\mathit{c}}Tc​-1${)}^{\mathrm{\ensuremath{-}}0.77}$, which implies z\ensuremath{\simeq}1.10.
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).
Monte Carlo and spin dynamics simulations have been used to study the dynamic critical behavior of RbMnF3,{\mathrm{RbMnF}}_{3},RbMnF3​, treated as a classical Heisenberg antiferromagnet on a simple cubic lattice. In an attempt to understand the difference in the value of the dynamic critical exponent z between experiment and theory, we have used larger lattice sizes than in our previous simulations to better probe the asymptotic critical region in momentum. We estimate $z=1.49\ifmmode\pm\else\textpm\fi{}0.03,$ in good agreement with the renormalization-group theory and dynamic scaling predictions. In addition, the central peak in the dynamic structure factor at Tc,{T}_{c},Tc​, seen in experiments and previous simulations, but absent in the renormalization-group and mode-coupling theories, is shown to be solely in the longitudinal component.
The properties of the spin-1/2 Heisenberg model on 1, 2, and 3-dimensional lattices are calculated using the Decoupled Cell Method of Homma et al., and these results are compared with high temperature and spin-wave expansions, and with other numerical approaches. The DCM has advantages over other Monte Carlo methods currently in wide use in that the transition probability is positive definite, there is no need to introduce an additional imaginary time, or Trotter, dimension, and the acceptance rate for transitions is comparable to that of classical lattice models. We find very good agreement between the DCM and the high temperature expansion in the temperature region where the high temperature expansion is valid, and reasonably good agreement at low temperatures with spin wave theory. The DCM fails for temperatures T < Tc which decreases with the size of the cell.