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arXiv:cond-mat/9702017 · Physical review. B, Condensed matter

Two-dimensional XXZ model ground-state properties using an analytic Lanczos expansion

Nicholas S. Witte, Lloyd C. L. Hollenberg, Zheng Weihong

Published Apr 15, 1997• 16 citations
arXivHTMLPDF

Abstract

We develop a formalism for calculating arbitrary expectation values for any extensive lattice Hamiltonian system using an analytic Lanczos expansion, or plaquette expansion, and a recently proved exact theorem for ground-state energies. The ground-state energy, staggered magnetization, and excited state gap of the two-dimensional anisotropic antiferromagnetic Heisenberg model are then calculated using this expansion for a range of anisotropy parameters, and compared to other moment-based techniques, such as the t expansion, and spin-wave theory, and series-expansion methods. We find that far from the isotropic point all moment methods give essentially very similar results, but near the isotropic point the plaquette expansion is generally better than the others.

DOI
10.1103/physrevb.55.10412

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We develop a formalism for calculating arbitrary expectation values for any extensive lattice Hamiltonian system using an analytic Lanczos expansion, or plaquette expansion, and a recently proved exact theorem for ground-state energies. The ground-state energy, staggered magnetization, and excited state gap of the two-dimensional anisotropic antiferromagnetic Heisenberg model are then calculated using this expansion for a range of anisotropy parameters, and compared to other moment-based techniques, such as the t expansion, and spin-wave theory, and series-expansion methods. We find that far from the isotropic point all moment methods give essentially very similar results, but near the isotropic point the plaquette expansion is generally better than the others.
An analysis of a general non-perturbative technique for calculating ground-state properties of extensive lattice many-body systems is presented, in order to extract accurate numerical values characterizing the ground-state spectrum. This technique, the plaquette expansion, employs an expansion about the thermodynamic limit of the coefficients that are generated by the Lanczos process. For the ground-state energy this error analysis, using theorems on the error bounds for the Lanczos method and the truncation in the plaquette expansion, allows for an accurate estimate when the approximation is taken to a given order. As an example we analyse the one-dimensional antiferromagnetic Heisenberg model, and find that the best ground-state energy density is within of the exact value, although the systematic error is . We also find, for this model, systematic improvement with each new order included in the expansion and have not observed any asymptotic tendencies. At equivalent orders of truncation we achieve far better results than for the other moment methods, such as the t-expansion or the connected-moment expansion.
The plaquette expansion of the Lanczos recursion method is applied to the two-dimensional antiferromagnetic Heisenberg model. Connected Hamiltonian moments 〈Hn{\mathit{H}}^{\mathit{n}}Hn〉c{\mathrm{〉}}_{\mathit{c}}〉c​ are calculated with respect to the N\'eel state up to n=6. The subsequent plaquette expansion of the Lanczos matrix in the number of plaquettes on the lattice, Np{\mathit{N}}_{\mathit{p}}Np​, is determined to order 1/Np{\mathit{N}}_{\mathit{p}}Np​. Diagonalizing the Lanczos matrix in this form gives a value of the energy density of -0.664 in the limit Np{\mathit{N}}_{\mathit{p}}Np​\ensuremath{\rightarrow}\ensuremath{\infty}, in good agreement with existing calculations.
In the presence of a staggered magnetic field, the plaquette expansion of the Lanczos matrix elements are obtained for the antiferromagnetic 2D Heisenberg model up to order 1/Np (Np is the number of plaquettes on the lattice). The resulting approximate tri-diagonal form of the Hamiltonian is diagonalised for various values of the field strength in the -> 00 limit for the ground state energy density. From the behaviour of the ground-state energy density at weak fields, the staggered magnetisation at this order in the plaquette expansion is found to be 0·71 (in units where the Neel state staggered magnetisation is 1· 0).
We investigate the quantum dynamics of the spins on different Heisenberg antiferromagnetic spin lattice systems. Firstly, we applied the coupled-cluster method to the spin-1/2 antiferromagnetic \emph{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, 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.Secondly, we study the longitudinal excitations of quantum antiferromagnets on a triangular lattice by a recently proposed microscopic many-body approach based on magnon-density waves. We calculate the full longitudinal excitation spectra of the antiferromagnetic Heisenberg model for a general spin quantum number in the isotropic limit. Similar to the square lattice model, we find that, at the center of the first hexagonal Brillouin zone Γ(q=0)\Gamma(\mathbf q=0)Γ(q=0) and at the magnetic ordering wavevectors ±[Q=(4π/3,0)]\pm[\mathbf Q= (4\pi/3,0)]±[Q=(4π/3,0)], the excitation spectra become gapless in the thermodynamic limit, due to the slow, logarithmic divergence of the structure factor. However, these longitudinal modes on two-dimensional models may be considered as quasi-gapped, as any finite-size effect or small anisotropy will induce a large energy gap, when compared with the counterpart of the transverse spin-wave excitations. We have also investigated the excited states of the quasi-one-dimensional quantum antiferromagnets on hexagonal lattices, including the longitudinal modes based on the magnon-density waves. A model Hamiltonian with a uniaxial single-ion anisotropy is first studied by a spin-wave theory based on the one-boson method; the ground state thus obtained is employed for the study of the longitudinal modes. The full energy spectra of both the transverse modes (i.e., magnons) and the longitudinal modes are obtained as functions of the nearest-neighbor coupling and the anisotropy constants. We have found two longitudinal modes due to the non-collinear nature of the triangular antiferromagnetic order, similar to that of the phenomenological field theory approach by Affleck. The excitation energy gaps due to the anisotropy and the energy gaps of the longitudinal modes without anisotropy are then investigated. We then compares our results for the longitudinal energy gaps at the magnetic wavevectors with the experimental results for several antiferromagnetic compounds with both integer and non-integer spin quantum numbers, and we find good agreements after the higher-order contributions are included in our calculations.
The Lanczos method in operator form is applied to a general lattice Hamiltonian and expressions for the first few Lanczos matrices in terms of the connected Hamiltonian moments 〈Hn{\mathit{H}}^{\mathit{n}}Hn〉c{\mathrm{〉}}_{\mathit{c}}〉c​ and the number of plaquettes, Np{\mathit{N}}_{\mathit{p}}Np​, are obtained. Expansions in 1/Np{\mathit{N}}_{\mathit{p}}Np​ suggest a very simple general form for the first few terms in the 1/Np{\mathit{N}}_{\mathit{p}}Np​ expansions for all ${\mathrm{\ensuremath{\alpha}}}_{\mathit{n}}$ and ${\mathrm{\ensuremath{\beta}}}_{\mathit{n}}$. For the one-dimensional Heisenberg spin chain it is demonstrated that the ground-state eigenvalue of the tridiagonal Lanczos matrix derived from this plaquette expansion approaches the true infinite lattice limit as the number of terms in the plaquette expansion is increased.
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.