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arXiv:cond-mat/9901183 · Physical review. B, Condensed matter

Extended coupled-cluster treatment of correlations in quantum magnets

J. Rosenfeld, N.E. Ligterink, R. F. Bishop

Published Aug 1, 1999• 12 citations
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Abstract

The spin-half $\mathrm{XXZ}$ model on the linear chain and the square lattice are examined with the extended coupled-cluster method (ECCM) of quantum many-body theory. We are able to describe both the Ising-Heisenberg phase and the $\mathrm{XY}$-Heisenberg phase, starting from known wave functions in the Ising limit and at the phase transition point between the $\mathrm{XY}$-Heisenberg and ferromagnetic phases, respectively, and by systematically incorporating correlations on top of them. The ECCM yields good numerical results via a diagrammatic approach, which makes the numerical implementation of higher-order truncation schemes feasible. In particular, the best nonextrapolated coupled-cluster result for the sublattice magnetization is obtained, which indicates the employment of an improved wave function. Furthermore, the ECCM finds the expected qualitatively different behaviors of the linear-chain and square-lattice cases.

DOI
10.1103/physrevb.60.4030

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The spin-half XXZ\mathrm{XXZ}XXZ model on the linear chain and the square lattice are examined with the extended coupled-cluster method (ECCM) of quantum many-body theory. We are able to describe both the Ising-Heisenberg phase and the XY\mathrm{XY}XY-Heisenberg phase, starting from known wave functions in the Ising limit and at the phase transition point between the XY\mathrm{XY}XY-Heisenberg and ferromagnetic phases, respectively, and by systematically incorporating correlations on top of them. The ECCM yields good numerical results via a diagrammatic approach, which makes the numerical implementation of higher-order truncation schemes feasible. In particular, the best nonextrapolated coupled-cluster result for the sublattice magnetization is obtained, which indicates the employment of an improved wave function. Furthermore, the ECCM finds the expected qualitatively different behaviors of the linear-chain and square-lattice cases.
The coupled cluster method (CCM) is a well-known method of quantum many-body theory, and in this article we present an application of the CCM to the spin-half ${J}_{1}{\ensuremath{-}J}_{2}$ quantum spin model with nearest- and next-nearest-neighbor interactions on the linear chain and the square lattice. We present results for ground-state expectation values of such quantities as the energy and the sublattice magnetization. The presence of critical points in the solution of the CCM equations, which are associated with phase transitions in the real system, is investigated. Completely distinct from the investigation of the critical points, we also make a link between the expansion coefficients of the ground-state wave function in terms of an Ising basis and the CCM ket-state correlation coefficients. We are thus able to present evidence of the breakdown, at a given value of J2/J1,{J}_{2}{/J}_{1},J2​/J1​, of the Marshall-Peierls sign rule which is known to be satisfied at the pure Heisenberg point (J2=0){(J}_{2}=0)(J2​=0) on any bipartite lattice. For the square lattice, our best estimates of the points at which the sign rule breaks down and at which the phase transition from the antiferromagnetic phase to the frustrated phase occurs are, respectively, given by ${J}_{2}{/J}_{1}\ensuremath{\approx}0.26$ and ${J}_{2}{/J}_{1}\ensuremath{\approx}0.61.$
The coupled-cluster method (CCM) is applied to anisotropic-quantum-antiferromagnetic models in one and two dimensions (1D and 2D). Several hierarchical approximation schemes of the CCM are defined, which are specialized for the spin-lattice models. Good results are obtained for both ground-state and excited-state energies. The spin-spin correlation functions and the staggered magnetizations are also calculated. We have found that the CCM gives a qualitatively correct description of the entire Heisenberg-Ising phase, including the critical point where a phase transition occurs in 1D. Some interesting differences between 1D and 2D models near the critical point are discussed.
In this article, the correlated basis-function (CBF) method is applied for the first time to the quantum spin-half XY model on the linear chain, the square lattice, and the simple cubic lattice. In this treatment of the quantum spin-half XY model a Jastrow ansatz is utilised to approximate the ground-state wave function. Results for the ground-state energy and the sublattice magnetisation are presented, and evidence that the CBF detects the quantum phase transition point in this model is also presented. The CBF results are compared to previous coupled cluster method (CCM) results for the spin-half XY model, and the two formalisms are then compared and contrasted. In this paper we consider the T = 0 properties of the quantum spin system known as the spin-half XY model, described by the Hamiltonian
A high-order coupled cluster method (CCM) for the zero-temperature ground states of quantum lattice spin systems of general spin quantum number (s> 1/2)(s>~1/2)(s> 1/2) is described and illustrated via the spin-1 anisotropic Heisenberg antiferromagnet on the square lattice. Results for the ground-state energy and sublattice magnetization are seen to be in excellent agreement with the best of other approximate methods. Furthermore, we are able to follow the solution to the CCM equations at a given level of approximation with respect to the anisotropy parameter $\ensuremath{\Delta}$ from the trivial Ising limit $(\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\Delta}}\ensuremath{\infty})$ down to a critical value ${\ensuremath{\Delta}}_{c},$ at which point the physical solution terminates. The results for the ground-state energy, sublattice magnetization, and phase transition point thus support our choice of this model as a good nontrivial test case of our CCM formalism.
The coupled-cluster method is applied to the spin-1/2 antiferromagnetic XXZ model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is found for the ground-state energy, the sublattice magnetization and the critical anisotropy when comparing with the approximation including the two-body correlations alone. We also obtain the full excitation spectrum which is in good agreement with the quantum Monte Carlo results and the high-order spin-wave theory.