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Canadian Journal of Physics

Improved finite-lattice estimates of the properties of two quantum spin models on the infinite square lattice

Donald D. Betts, H.Q. Lin, James Flynn

Published Jan 1, 1999• 54 citations
Publisher

Abstract

This paper describes an improvement in the method of exact diagonalization of Hamiltonians of quantum spin models on finite square lattices and the statistical analysis of the data so obtained to estimate the physical properties of the models on the infinite square lattices at zero temperature. The geometry and topology of finite square lattices are described. The models studied are the spin one-half XY and Heisenberg antiferromagnets using 28 finite square lattices with up to 32 vertices. Our estimates of the energy and magnetization on each model on the infinite lattice at zero temperature compare very well with recent estimates using quantum Monte Carlo, series expansion, and spin wave estimates. Estimates of spin wave velocity and transverse susceptibilities are more scattered.PACS No.: 75.10J

DOI
10.1139/cjp-77-5-353

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This paper describes an improvement in the method of exact diagonalization of Hamiltonians of quantum spin models on finite square lattices and the statistical analysis of the data so obtained to estimate the physical properties of the models on the infinite square lattices at zero temperature. The geometry and topology of finite square lattices are described. The models studied are the spin one-half XY and Heisenberg antiferromagnets using 28 finite square lattices with up to 32 vertices. Our estimates of the energy and magnetization on each model on the infinite lattice at zero temperature compare very well with recent estimates using quantum Monte Carlo, series expansion, and spin wave estimates. Estimates of spin wave velocity and transverse susceptibilities are more scattered.PACS No.: 75.10J
The spin-12\frac{1}{2}21​ XXZ\mathrm{XXZ}XXZ model on an infinite square lattice at zero temperature has been studied and is presented here. Our methods using finite square lattices have been the exact diagonalization and quantum Monte Carlo methods. The physical properties estimated per lattice vertex include ground-state and first-excited-state energy, staggered magnetization, and susceptibility in the parallel and perpendicular directions, spin stiffness, and spin-wave velocity. In the XXZ\mathrm{XXZ}XXZ model range from the Ising model to the Heisenberg model our estimates of physical properties compare very well with estimates by several other methods published in several other papers. In the XXZ\mathrm{XXZ}XXZ range between the Heisenberg and XY\mathrm{XY}XY models there is very little in the literature to compare with our finite lattice estimates of physical properties.
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First we introduce the upper triangular lattice form method that permits one to derive easily the complete set of finite lattices of any given number, N , of vertices for any regular infinite lattice in any number of dimensions, and we use it to obtain all finite fcc lattices of N <28. We compute the ground state energy, magnetization and spin-spin correlations of the spin one-half X Y ferromagnet on each of these lattices. Extrapolation of these data to infinite N yields T =0 estimates of the properties mentioned. Our estimates agree to a few tenths of a percent with spin wave, series expansion and variational estimates.
The well-known finite-lattice method for the calculation of the properties of quantum spin systems on a two-dimensional lattice at zero temperature was introduced in 1978. The method has now been greatly improved for the square lattice by including finite lattices based on parallelogram tiles as well as the familiar finite lattices based on square tiles. Dozens of these new finite lattices have been tested and graded using the [Formula: see text] ferromagnet. In the process new and improved estimates have been obtained for the XY model's ground-state energy per spin, ε0 = −0.549 36(30) and spontaneous magnetization per spin, m = 0.4349(10). Other properties such as near-neighbour, zero-temperature spin–spin correlations, which appear not to have been calculated previously, have been estimated to high precision. Applications of the improved finite-lattice method to other models can readily be carried out.
Abstract Motivated by the need for high-precision benchmark results for basic quantum many-body models, several ground state properties of the square lattice S = 1 / 2 Heisenberg antiferromagnet are computed (the energy, order parameter, spin stiffness, spinwave velocity, long-wavelength susceptibility and staggered susceptibility) using extensive quantum Monte Carlo simulations with the stochastic series expansion method. Moderately sized lattices are studied at temperatures T sufficiently low to realize the T → 0 limit, with significantly reduced statistical errors relative to previous works. Results for periodic L × L lattices with L ∈ [ 6 , 96 ] are tabulated versus L and extrapolations to infinite system size are carried out. The relative statistical errors of finite-size energies are below 10 −7 . The extrapolated ground state energy density is e 0 = − 0.669 441 857 ( 7 ) , where the number within parentheses is the statistical error (one standard deviation) of the preceding digit. This value represents an improvement in precision of three orders of magnitude over the previous best result. The leading and subleading finite-size corrections to e 0 are in full quantitative agreement with predictions from chiral perturbation theory, thus further supporting the soundness of both the extrapolations and the theory. The extrapolated sublattice magnetization is m s = 0.307 447 ( 2 ) , which agrees well with previous estimates but with a much smaller statistical error. The coefficient of the linear in L −1 correction to m s 2 agrees with the value from chiral perturbation theory and the presence of a factor ln γ ⁡ ( L ) in the second-order correction is also confirmed, with the previously unknown value of the exponent being γ = 0.82 ( 4 ) . The finite-size corrections to the staggered susceptibility point to logarithmic corrections in this quantity as well. To facilitate benchmarking of methods for which periodic boundary conditions are challenging, results for systems with open and cylindrical boundaries are also listed and their spatially inhomogeneous order parameters are analyzed.