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Physical review. B, Condensed matter

Monte Carlo study of the one-dimensional quantum Heisenberg ferromagnet near T=0

J. W. Lyklema

Published Mar 1, 1983• 49 citations
Publisher

Abstract

An exact Monte Carlo method to study quantum spin systems is applied to the one-dimensional spin-\textonehalf{} Heisenberg Hamiltonian. We show that it is possible to perform accurate calculations at a very low temperature. We find a power-law divergence for the susceptibility, with a critical exponent of 1.75.
DOI
10.1103/physrevb.27.3108

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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.
The Suzuki-Trotter transformation has been used to transform NNN-spin S=12S=\frac{1}{2}S=21​ Heisenberg and XY\mathrm{XY}XY chains into two-dimensional ($N\ifmmode\times\else\texttimes\fi{}2m$) classical Ising models with complicated interactions. A Monte Carlo method using multispin flipping techniques is then used to study these models for $\frac{\mathrm{kT}}{|J|}\ensuremath{\ge}0.0125$ and $m\ensuremath{\le}10$. Finite-size scaling is used to analyze the low-temperature susceptibility of the ferromagnetic Heisenberg chain, and we find a power-law divergence $\ensuremath{\chi}={T}^{\ensuremath{-}\ensuremath{\gamma}}$ with $\ensuremath{\gamma}=1.32\ifmmode\pm\else\textpm\fi{}0.13$. Difficulties in the method, particularly due to singular bonding, are discussed.
A quantum Monte Carlo simulation scheme for spin systems is presented. The method is a generalization of Handscomb's method but applicable to any length of the spin, i.e., when the spin traces cannot be evaluated analytically. The Monte Carlo sampling is extended to the space of spin vectors in addition to the usual operator-index sequences. An important technical point is that the index sequences are augmented with the aid of unit operators to a constant, self-consistently determined length. The scheme is applied to the one-dimensional antiferromagnetic spin-S Heisenberg model. Results at low temperatures are reported for S=1 and S=3/2 and system sizes up to N=64. The computed magnetic structure factor in the S=1 chain is in agreement with earlier ground-state calculations. For S=3/2 we find the exponent \ensuremath{\gamma}\ifmmode\bar\else\textasciimacron\fi{}=0.49\ifmmode\pm\else\textpm\fi{}0.04 for the divergence of the antiferromagnetic structure factor. Further, the susceptibility as a function of the wave number is computed. For S=1 the staggered susceptibility \ensuremath{\chi}(\ensuremath{\pi}) at T=0 is found to take the value 20.0\ifmmode\pm\else\textpm\fi{}1.5 in units such that \ensuremath{\chi}(q)\ensuremath{\rightarrow}${\mathit{T}}^{\mathrm{\ensuremath{-}}1}$ at high temperatures (with the temperature scale defined by kB{\mathit{k}}_{\mathit{B}}kB​=1). For S=3/2 we obtain the exponent \ensuremath{\gamma}=1.45\ifmmode\pm\else\textpm\fi{}0.05 for the divergence of the staggered susceptibility.
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.
A simple Monte Carlo method1) which was shown to be applicable to finite spin-systems of rather large spin size ragardless of dimensionality of the system is applied to the spin-1/2 isotropic Heisenberg ferromagnetic system on the square lattice of spin size 10 × 10, 20 × 20 and 30 × 30. Rather accurate values are obtained for thermodynamic quantities for temperature down to k B T / J =0.01. The accuracy and efficiency of the MC method are discussed in detail in comparison with the other works.