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Modern Physics Letters B

MONTE CARLO STUDY OF THE SPIN-1/2 HEISENBERG MODEL IN 1, 2, AND 3 DIMENSIONS

Richard J. Creswick, Cynthia J. Sisson

Published Jun 10, 1991• 3 citations
Publisher

Abstract

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.

DOI
10.1142/s0217984991001131

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•Jul 20, 2007•0 citations
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.
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.
Monte Carlo renormalization-group methods were applied to the classical three-component Heisenberg model on a two-dimensional lattice. Expectation values of local correlations of spins and various sized block spins were computed using traditional Monte Carlo methods. By matching quantities at different length scales generated by different Monte Carlo Hamiltonians we directly determined the renormalization of the nearest-neighbor coupling. Using these data and the results of high-temperature expansions and low-temperature renormalization-group calculations we have determined that this model does not have a phase transition. We have also obtained the amplitude for the low-temperature divergence of the susceptibility and the correlation length.
Thermodynamic properties of the spin-1/2 Heisenberg ferromagnet are calculated by using Handscomb's Monte Carlo method. Several methods of analyses are used to determine critical properties of the model. For a square lattice we find that the susceptibility diverges exponentially at zero temperature. That is, \ensuremath{\chi}\ensuremath{\sim}exp[b(J/kB{\mathit{k}}_{\mathit{B}}kB​T)] with the constant b=4.5\ifmmode\pm\else\textpm\fi{}0.5, which is lower than the prediction (b=2\ensuremath{\pi}) of a modified spin-wave theory. For the simple-cubic lattice, we find that the critical temperature kB{\mathit{k}}_{\mathit{B}}kB​Tc{\mathit{T}}_{\mathit{c}}Tc​/J=1.68\ifmmode\pm\else\textpm\fi{}0.01, and the ratio of the exponents \ensuremath{\gamma}/\ensuremath{\nu}=2.0\ifmmode\pm\else\textpm\fi{}0.05, which are in good agreement with the estimates of the high-temperature series-expansion method.
We present a new method for a systematic spin-wave expansion for the quantum fluctuations of a generic spin Hamiltonian in a finite lattice, where the inverse spin magnitude 1/ S is a well-defined expansion parameter. The first two leading contributions of the spin-spin correlation function are evaluated for the J 1 - J 2 Heisenberg model. Very good agreement between our finite-size predictions and the exact diagonalization and Monte Carlo results is found for J 2 / J 1 < 0.2 and S = 1/2, thus confirming the existence of antiferromagnetic long-range order in this J region. For J 2 / J 1 > 0.3 the expansion is poorly converging, suggesting a possible breakdown of the spin-wave approximation. Here our calculation seems consistent with a possible spin liquid ground state.
Spin-1/2 nearest neighbor Heisenberg antiferromagnet and XY model on a square lattice are studied via large scale quantum Monte Carlo simulations using a fast and efficient multispin coding algorithm on the Caltech/JPL MarkIIIfp parallel supercomputer, based on the Suzuki-Trotter transformation. We performed simulations with very good statistics on lattices as large as 128x128 spins, in the temperature range from 0.1 to 2.5 in units of the effective exchange coupling J. We calculated energy, specific heat, magnetic susceptibilities and also spin correlation functions from which we deduce the correlation lengths. For the Heisenberg model, at temperatures higher than J the results are in excellent agreement with high-temperature series expansion. At low temperatures the long wavelength behavior is essentially classical. Our data show that the correlation length and staggered susceptibility are quantitatively well described by the renormalized classical picture at the 2-loop level of approximation. From the divergence of the correlation length, we deduce the value of the quantum renormalized spin stiffness, [rho][subscript s]/J = 0.199(2). We give evidence that the correlation function is of the Ornstein-Zernicke type. By comparing the largest measured correlation lengths with neutron scattering experiments on La2CuO4, we deduce the value of effective exchange coupling J = 1450±30 K. By measuring the imaginary time-dependent correlation functions, we show that the dynamics of the model can be well understood within a Bose liquid-type picture. The spin waves are rather sharp throughout most of the Brillouin zone and the damping is weakly dependent on the wave vector. In the case of the XY model, convincing numerical evidence is obtained on square lattices as large as 96x96 that the spin-1/2 XY model undergoes a Kosterlitz-Thouless (KT) phase transition at kTc/J = 0.350(4). The correlation length and in-plane susceptibility diverge at Tc precisely according to the form predicted by Kosterlitz and Thouless for the classical XY model. The specific heat increases very rapidly on heating near Tc and exhibits a peak around kT/J = 0.45. We also measure the spin stiffness and the correlation function exponent below the transition temperature. Within the statistical accuracy of the measurements, the results are well described by the square root singularity (with a nonuniversal amplitude) below Tc, and they have the universal values in agreement with KT theory at Tc.