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arXiv:0812.4139 · Physical Review B

Correlated cluster mean-field theory for spin systems

Daisuke Yamamoto

Published Apr 24, 2009• 69 citations
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Abstract

A cluster mean-field method is introduced and the applications to the Ising and Heisenberg models are demonstrated. We divide the lattice sites into clusters whose size and shape are selected so that the equivalence of all sites in a cluster is preserved. Since the strength of interactions of a cluster with its surrounding clusters is strongly dependent on the spin configuration of the central cluster itself, we include this contribution in the effective fields acting on the spins. The effects of ``correlations'' between clusters can be taken into account beyond the standard mean-field level and as a result our cluster-based method gives qualitatively (and even quantitatively) correct results for the both Ising and Heisenberg models. Especially, for the Ising model on the honeycomb and square lattices, the calculated results of the critical temperature are very close (overestimated by only less than 5%) to the exact values.

DOI
10.1103/physrevb.79.144427

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A cluster mean-field method is introduced and the applications to the Ising and Heisenberg models are demonstrated. We divide the lattice sites into clusters whose size and shape are selected so that the equivalence of all sites in a cluster is preserved. Since the strength of interactions of a cluster with its surrounding clusters is strongly dependent on the spin configuration of the central cluster itself, we include this contribution in the effective fields acting on the spins. The effects of ``correlations'' between clusters can be taken into account beyond the standard mean-field level and as a result our cluster-based method gives qualitatively (and even quantitatively) correct results for the both Ising and Heisenberg models. Especially, for the Ising model on the honeycomb and square lattices, the calculated results of the critical temperature are very close (overestimated by only less than 5%) to the exact values.
Mean-field approaches provide a qualitative understanding of the behavior of interacting many-body systems. Weiss's molecular-field theory, in particular, has been successfully applied to the studies of various phenomena. However, since local fluctuations from the average are ignored, this simple mean-field theory does not work for systems whose distinctive behavior is caused by fluctuation effects. In the present work, we introduce a new cluster mean-field approach, which we refer to as the correlated cluster mean-field approach, and the applications to classical and quantum spin systems are demonstrated. We divide the lattice sites into clusters consisting of several sites and include the effect of cluster-cluster correlations into the effective fields acting on the spins. In doing so, the effect of spin fluctuations can be taken into account, and our method gives qualitatively and even semiquantitatively correct results for both classical and quantum systems.
We introduce Sz spin-projection based on cluster mean-field theory and apply it to the ground state of strongly correlated spin systems. In cluster mean-fields, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is Sz symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all Sz sectors, breaking Sz symmetry. In addition, a projection scheme is used to restore global Sz, which gives rise to the Sz spin-projected generalized cluster mean-field (SzGcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J1 - J2 and XXZ Heisenberg models. Our results indicate that the new methods (GcMF and SzGcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work.
Mean-field theory (MFT) is one of the main available tools for analytical calculations entailed in investigations regarding many-body systems. Recently, there has been a surge of interest in ameliorating this kind of method, mainly with the aim of incorporating geometric and correlation properties of these systems. The correlated cluster MFT (CCMFT) is an improvement that succeeded quite well in doing that for classical spin systems. Nevertheless, even the CCMFT presents some deficiencies when applied to quantum systems. In this article, we address this issue by proposing the quantum CCMFT (QCCMFT), which, in contrast to its former approach, uses general quantum states in its self-consistent mean-field equations. We apply the introduced QCCMFT to the transverse Ising model in honeycomb, square, and simple cubic lattices and obtain fairly good results both for the Curie temperature of thermal phase transition and for the critical field of quantum phase transition. Actually, our results match those obtained via exact solutions, series expansions or Monte Carlo simulations.
The article provides a tutorial review on how to treat Ising models within mean-field (MF), effective-field (EF) and exact methods. MF solutions of the spin-1 Blume-Capel (BC) model and the mixed-spin Ising model demonstrate a change of continuous phase transitions to discontinuous ones at a tricritical point. A quantum phase transition of the spin-S Ising model driven by a transverse field is explored within MF method. EF theory is elaborated within a single- and two-spin cluster approach to demonstrate an efficiency of this approximate method. The long-standing problem of this method concerned with a self-consistent determination of the free energy is addressed. EF theory is adapted for the spin-1/2 Ising model, the spin-S BC model and the transverse Ising model. The particular attention is paid to continuous and discontinuous transitions. Exact results for the spin-1/2 Ising chain, spin-1 BC chain and mixed-spin Ising chain are obtained using the transfer-matrix method, the crucial steps of which are reviewed for a spin-1/2 Ising square lattice. Critical points of the spin-1/2 Ising model on several lattices are rigorously obtained with the help of dual, star-triangle and decoration-iteration transformations. Mapping transformations are adapted to obtain exact results for the mixed-spin Ising model on planar lattices. An increase in the coordination number of the mixed-spin Ising model on decorated planar lattices gives rise to reentrant transitions, while the critical temperature of the mixed-spin Ising model on a regular honeycomb lattice is always greater than that of two semi-regular archimedean lattices. The effect of selective site dilution of the mixed-spin Ising model on a honeycomb lattice upon phase diagrams is examined. The review affords a brief account of the Ising models solved within MF, EF and exact methods along with a few comments on their future applicability.
We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for describing the ground state of strongly correlated spin systems. In cluster mean-field, the ground state wave function is written as a simple tensor product of optimized cluster states. The cluster language and the mean-field nature of the ansatz allow for a straightforward improvement which uses perturbation theory and coupled-cluster to account for intercluster correlations. We present benchmark calculations on the 1D chain and 2D square J 1 – J 2 Heisenberg model, using cluster mean-field, perturbation theory, and coupled-cluster. We also present an extrapolation scheme that allows us to compute thermodynamic limit energies accurately. Our results indicate that, with sufficiently large clusters, the correlated methods (cPT2, cPT4, and cCCSD) can provide a relatively accurate description of the Heisenberg model in the regimes considered, which suggests that the methods presented can be used for other strongly correlated systems. Some ways to improve upon the methods presented in this work are discussed.
We use an effective field model which explicitly incorporates correlations to determine the critical temperatures for Ising ferromagnets on the common lattices. We specifically retain only the first nontrivial odd correlation function, i.e., the triplet correlation function, while neglecting higher order correlations. Within this approximation, assuming the equivalence of triplet correlations involving both central and noncentral sites in the nearest neighbor cluster yields values for the critical temperature below the Bethe approximations for z⩾4. Likewise, assuming the inequivalence of triplet correlations involving the central and noncentral sites yields values of the critical temperature only slightly higher than the Bethe approximation for z⩾4. For lattices with four- and six-fold coordination this equivalence and inequivalence of triplet correlation functions is sufficient to cause the critical temperatures to approach their two- and three-dimensional values. For instance, for quadratic lattices we obtain values for the critical temperature of 2.5284 and 2.9796 as compared to the exact and series results of 2.2692 and 2.7044 for the simple quadratic and diamond lattices, respectively, and the Bethe approximation of 2.8854.