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Physical review. B, Condensed matter

Zero-temperature properties of the two-dimensional Heisenberg antiferromagnet: A numerical study

Elbio R. Dagotto, Adriana Moreo

Published Sep 1, 1988• 83 citations
Publisher

Abstract

Using a modified Lanczos method we have studied the two-dimensional Heisenberg antiferromagnetic model (at zero temperature) with lattices up to 24 sites. The ground-state and first-excited-state energies are evaluated. We show that the model is gapless in the thermodynamic limit in agreement with recent Monte Carlo simulations. Accurate results for the ``square ladder'' are also presented showing that this model is massive. The finite-size dependence of the results is discussed. In addition, we calculate the energy of a resonating-valence-bond state on finite lattices and its overlap with the exact ground state.

DOI
10.1103/physrevb.38.5087

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Using a modified Lanczos method we have studied the two-dimensional Heisenberg antiferromagnetic model (at zero temperature) with lattices up to 24 sites. The ground-state and first-excited-state energies are evaluated. We show that the model is gapless in the thermodynamic limit in agreement with recent Monte Carlo simulations. Accurate results for the ``square ladder'' are also presented showing that this model is massive. The finite-size dependence of the results is discussed. In addition, we calculate the energy of a resonating-valence-bond state on finite lattices and its overlap with the exact ground state.
We consider a resonating-valence-bond state as a trial wave function for the ground state of the antiferromagnetic Heisenberg model on the square lattice. The energy and the staggered spin-spin correlation functions are calculated on a small lattice and are compared with the results of the exact diagonalization of Oitmaa and Betts. The trial energy is only about 4.7% different from the exact ground-state energy on a 4\ifmmode\times\else\texttimes\fi{}4 lattice. The importance of the singlet pairs between the next-nearest antiferromagnetic sites is inferred. An argument against the previous interpretation of the numerical data as being evidence of long-range order is presented.
We describe a numerical simulation of the isotropic spin-\textonehalf{} Heisenberg antiferromagnet on square lattices of size 4\ifmmode\times\else\texttimes\fi{}4, 6\ifmmode\times\else\texttimes\fi{}6, and 8\ifmmode\times\else\texttimes\fi{}8. A Hamiltonian Monte Carlo method is used to measure the energies of the lowest-lying singlet and triplet states, and we extrapolate these results to give estimates of the properties of large antiferromagnets. Our result for the ground-state energy per spin is $\frac{{E}_{0}}{{N}^{2}}=\ensuremath{-}0.672\ifmmode\pm\else\textpm\fi{}0.001$ for an infinite system. Within our statistical accuracy, the singlet-triplet gap behaves as ${E}_{1}\ensuremath{-}{E}_{0}\ensuremath{\approx}\frac{2.1}{N}$, which implies that the infinite system is gapless.
The ground-state energy, staggered magnetization, and correlation function are computed for the two-dimensional spin-(1/2 quantum antiferromagnetic Heisenberg model (believed to be relevant to the high-temperature superconducting materials without doping) on lattices up to 24\ifmmode\times\else\texttimes\fi{}24 by Monte Carlo methods extrapolated to zero temperature. A more accurate value for the ground-state energy is determined by the method of Neumann and Ulam by extrapolating from lattices up to 12\ifmmode\times\else\texttimes\fi{}12.
The authors investigate the properties of the two-dimensional quantum S=1/2 Heisenberg antiferromagnetic model on a square lattice by means of a block approach. The lattice is divided into four spin square blocks and the Hamiltonian is expressed in terms of low-energy block states. In the framework of the mean-field theory based on the 'auxiliary-boson' formalism; they show that the spin excitation spectrum contains one singlet mode with the temperature-dependent gap and three degenerate triplet modes. The asymptotic low-temperature spin-spin correlations are proportional to R -3/2 exp(-R(1/ xi 1 +1/ xi 2 )), where xi 1 =exp(A/T), xi 2 =constant and A approximately=0.5J. The uniform susceptibility tends to zero in agreement with numerical results; the energy per site is close to -0.57J. Beyond the meanfield theory the authors find gapless collective excitations analogous to the gapless mode in the neutral Fermi gas with attraction.
A Wigner-Jordan (WJ) transformation is used to study the one-dimensional (1D) and two-dimensional (2D) quantum antiferromagnetic Heisenberg model. The advantage of using the Wigner-Jordan transformation is that it preserves all spin-commutation relations as well as the spin on-site exclusion principle. In the 1D case a nearest-neighbor covalent-bonding state of the WJ fermions is found to have a ground-state energy (-0.4351J per site) comparable with that from the Bethe-ansatz solution (-0.4431J per site), and a linear energy spectrum at low energies with velocity 1.6366J, in close agreement with the velocity obtained by Haldane for the quantum antiferromagnetic Heisenberg model with 1/d2{\mathit{d}}^{2}d2 interaction (1.5708J). The method used for studying the 1D model is then applied to the 2D Heisenberg model in a square lattice. The resulting state at finite temperature is the in-phase flux state, i.e., a flux state of the Wigner-Jordan spinless fermions with an in-phase fermion orbital current circulating around each elementary plaquette.The single-particle excitation spectrum, i.e., the energy dispersion of reversing orientation of a spin in the system, of the in-phase flux state is overall similar to that of spin waves, with significant difference near the edge point k=(\ensuremath{\pi},0), at which the excitation energy of the WJ fermion is zero, whereas that of the spin-wave excitation is 2J. The specific heat of the in-phase flux state predicts a correct temperature dependence over the entire temperature range, namely a T2{\mathit{T}}^{2}T2 dependence at low temperature, a peak near T/J=0.6, and a 1/T2{\mathit{T}}^{2}T2 decreasing at high temperature. It also gives excellent agreement with the specific heat calculated from numerical methods. In contrast, the spin-wave theory only correctly predicts a T2{\mathit{T}}^{2}T2 dependence at low temperature. The Raman spectrum of the in-phase flux state is calculated and shows significant improvement over that from spin-wave theories compared with the experimental spectrum of La2{\mathrm{La}}_{2}La2​CuO4{\mathrm{CuO}}_{4}CuO4​. The exchange parameter, J, obtained from the comparison is 1060 ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$, in agreement with that obtained from analyzing the neutron-scattering data.