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arXiv:cond-mat/0601691 · Physical Review B

Direct calculation of the spin stiffness of the spin- 12 Heisenberg antiferromagnet on square, triangular, and cubic lattices using the coupled-cluster method

S. E. Krüger, R. Darradi, Johannes Richter, DAMIAN J. J. FARNELL

Published Mar 7, 2006• 38 citations
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Abstract

We present a method for the direct calculation of the spin stiffness by means of the coupled-cluster method. For the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on square, triangular, and cubic lattices, we calculate the stiffness in high orders of approximation. For square and cubic lattices, our results are in very good agreement with the best results available in the literature. For the triangular lattice, our result is more precise than any other result obtained thus far by other approximate method.

DOI
10.1103/physrevb.73.094404

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We present a method for the direct calculation of the spin stiffness by means of the coupled-cluster method. For the spin-12\frac{1}{2}21​ Heisenberg antiferromagnet on square, triangular, and cubic lattices, we calculate the stiffness in high orders of approximation. For square and cubic lattices, our results are in very good agreement with the best results available in the literature. For the triangular lattice, our result is more precise than any other result obtained thus far by other approximate method.
We calculate the spin stiffness ${\mathrm{\ensuremath{\rho}}}_{\mathit{s}}$ for the frustrated spin-1/2 Heisenberg antiferromagnet on a square lattice by exact diagonalizations on finite clusters of up to 36 sites followed by extrapolations to the thermodynamic limit. For the nonfrustrated case, we find that ${\mathrm{\ensuremath{\rho}}}_{\mathit{s}}$=(0.183\ifmmode\pm\else\textpm\fi{}0.003)J1{\mathit{J}}_{1}J1​, in excellent agreement with the best results obtained by other means. Turning on frustration, the extrapolated stiffness vanishes for 0.4\ensuremath{\lesssim}J2{\mathit{J}}_{2}J2​/J1{\mathit{J}}_{1}J1​\ensuremath{\lesssim}0.6. In this intermediate region, the finite-size scaling works poorly---an additional sign that there is neither N\'eel nor collinear magnetic order. Using a hydrodynamic relation, and previous results for the transverse susceptibility, we also estimate the spin-wave velocity in the N\'eel-ordered region.
Using the coupled cluster method for high orders of approximation and complementary exact diagonalization studies we investigate the ground state properties of the spin-1/2 J1−−J2{J}_{1}--{J}_{2}J1​−−J2​ frustrated Heisenberg antiferromagnet on the square lattice. We have calculated the ground state energy, the magnetic order parameter, the spin stiffness, and several generalized susceptibilities to probe magnetically disordered quantum valence-bond phases. We have found that the quantum critical points for both the N\'eel and collinear orders are ${J}_{2}^{c1}\ensuremath{\approx}(0.44\ifmmode\pm\else\textpm\fi{}0.01){J}_{1}$ and ${J}_{2}^{c2}\ensuremath{\approx}(0.59\ifmmode\pm\else\textpm\fi{}0.01){J}_{1}$, respectively, which are in good agreement with the results obtained by other approximations. In contrast to the recent study by [Sirker et al. Phys. Rev. B 73, 184420 (2006)], our data do not provide evidence for the transition from the N\'eel to the valence-bond solid state to be first order. Moreover, our results are in favor of the deconfinement scenario for that phase transition. We also discuss the nature of the magnetically disordered quantum phase.
In this paper we have applied the coupled-cluster method to investigate the ground state of the spin-1 Heisenberg antiferromagnet with anisotropic exchange interaction and easy-plane single-ion anisotropy. A coupled-cluster approximation up to the second level has been performed to evaluate the ground-state energy and staggered magnetization for various lattices such as linear chain, honeycomb, square, simple cubic, and body-centered-cubic lattice. The convergence of our results is fairly rapid, and thus the coupled-cluster method seems to be a practical tool for calculating ground-state energy of a spin system since only the first few levels of approximation will be needed in actual practice.
The spin-half Heisenberg antiferromagnet (HAF) on the square and triangular lattices is studied using the coupled-cluster-method (CCM) technique of quantum many-body theory. The phase relations between different expansion coefficients of the ground-state wave function in an Ising basis for the square lattice HAF is exactly known via the Marshall-Peierls sign rule, although no equivalent sign rule has yet been obtained for the triangular-lattice HAF. Here the CCM is used to give accurate estimates for the Ising-expansion coefficients for these systems, and CCM results are noted to be fully consistent with the Marshall-Peierls sign rule for the square-lattice case. For the triangular-lattice HAF, a heuristic rule is presented which fits our CCM results for the Ising-expansion coefficients of states which correspond to two-body excitations with respect to the reference state. It is also seen that Ising-expansion coefficients which describe localized, m-body excitations with respect to the reference state are found to be highly converged, and from this result we infer that the nodal surface of the triangular lattice HAF is being accurately modeled. Using these results, we are able to make suggestions regarding possible extensions of existing quantum Monte Carlo simulations for the triangular-lattice HAF.
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.
We report on recent results for strongly frustrated quantum J1 - J2 antiferromagnets in dimensionality d = 1, 2, 3 obtained by the coupled cluster method (CCM). We demonstrate that the CCM in high orders of approximation allows us to investigate quantum phase transitions driven by frustration and to discuss novel quantum ground states. In detail we consider the ground-state properties of (i) the Heisenberg spin-1/2 antiferromagnet on the cubic lattice in d = 1, 2, 3, and use the results for the energy, the sublattice magnetization and the spin stiffness as a benchmark test for the precision of the method; (ii) coupled frustrated spin chains (the quasi-one-dimensional J1 - J2 model) and discuss the influence of the quantum fluctuations and the interchain coupling on the incommensurate spiral state present in the classical model; (iii) the Shastry-Sutherland antiferromagnet on the square lattice; and (iv) a stacked frustrated square-lattice Heisenberg antiferromagnet (the quasi-two-dimensional J1 - J2 model), and discuss the influence of the interlayer coupling on the quantum paramagnetic ground-state phase that is present for the strictly two-dimensional model.