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Physical Review B

Ground-state properties and one-particle spectra for a spin-1 Heisenberg antiferromagnet from series expansions

J. Oitmaa, Chris J. Hamer

Published Jun 23, 2008• 31 citations
Publisher

Abstract

We calculate ground state properties (energy, magnetization, susceptibility) and one-particle spectra for the $S=1$ Heisenberg antiferromagnet with easy-axis or easy-plane single-site anisotropy on the square lattice. Series expansions are used, in each of three phases of the system, to obtain systematic and accurate results. The location of the quantum phase transition in the easy-plane sector is determined. The results are compared to spin-wave theory.

DOI
10.1103/physrevb.77.224435

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We calculate ground state properties (energy, magnetization, susceptibility) and one-particle spectra for the S=1S=1S=1 Heisenberg antiferromagnet with easy-axis or easy-plane single-site anisotropy on the square lattice. Series expansions are used, in each of three phases of the system, to obtain systematic and accurate results. The location of the quantum phase transition in the easy-plane sector is determined. The results are compared to spin-wave theory.
We calculate ground state properties (energy, magnetization, susceptibility) and one-particle spectra for the S=1S = 1S=1 Heisenberg antiferromagnet with easy-axis or easy-plane single site anisotropy, on the square lattice. Series expansions are used, in each of three phases of the system, to obtain systematic and accurate results. The location of the quantum phase transition in the easy-plane sector is determined. The results are compared with spin-wave theory.
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 Green's-function Monte Carlo (GFMC) method is used to calculate very accurate ground-state energies of the two-dimensional, spin-1/2 Heisenberg antiferromagnet. The computations are performed on L\ifmmode\times\else\texttimes\fi{}L square lattices up to L=16 with varying uniform magnetization, which allows the extraction of the perpendicular susceptibility (\ensuremath{\chi}) and spin-wave velocity (c). These two quantities are the lattice- or cutoff-dependent parameters that allow one to map the long-wavelength properties of the antiferromagnet onto the nonlinear \ensuremath{\sigma} model and so are of general interest. Systematic errors present in previous GFMC calculations are addressed and corrected to yield results in excellent agreement with other numerical methods. I find, for the ground-state energy per site, -0.669 34(3); the susceptibility renormalization factor, ${\mathit{Z}}_{\mathrm{\ensuremath{\chi}}}$=0.535(5); and the spin-wave velocity renormalization factor, Zc{\mathit{Z}}_{\mathit{c}}Zc​=1.10(3). Finite-size effects in the extraction of Zc{\mathit{Z}}_{\mathit{c}}Zc​ and ${\mathit{Z}}_{\mathrm{\ensuremath{\chi}}}$ are discussed. The value of ${\mathit{Z}}_{\mathrm{\ensuremath{\chi}}}$ computed here is in agreement with the series-expansion results of Singh and of Zheng, Oitmaa, and Hamer, thereby clearing up a previous inconsistency between the series-expansion and quantum Monte Carlo predictions.
We develop series expansions for the ground state properties of the Hubbard model by introducing an Ising anisotropy into the Hamiltonian. For the two-dimensional square lattice half-filled Hubbard model, the ground state energy, local moment, sublattice magnetization, uniform magnetic susceptibility, and spin stiffness are calculated as a function of U/t, where U is the Coulomb constant and t is the hopping parameter. Magnetic susceptibility data indicate a crossover around U\ensuremath{\approxeq}4 between spin density wave antiferromagnetism and Heisenberg antiferromagnetism. Comparisons with Monte Carlo simulations, random phase approximation result, and mean-field solutions are also made.
Using the coupled-cluster method we investigate the ground-state properties of an easy-plane spin-one antiferromagnet which has a critical point at zero temperature. This spin system represents a nontrivial system with the single-ion anisotropy. Single-ion anisotropies have a fundamental influence on the behavior of a magnetic system, and prevail in almost all physical systems with spin greater than one half. Because of the complexities caused by the single-ion anisotropy term, the mean-field approximation is commonly used in calculations of the thermodynamic quantities. However, in the mean-field approximation both quantum and spin fluctuation correlations have been neglected. Here we apply the coupled-cluster method to obtain the ground-state energy, staggered magnetization and critical point for both two and three dimensional lattices. In the coupled-cluster method the correlations of the quantum and spin fluctuations have been systematically included.
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.