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Physical review. B, Condensed matter

Exact diagonalization and quantum Monte Carlo study of the spin- 12 XXZ model on the square lattice

Hua Lin, James Flynn, Donald D. Betts

Published Nov 8, 2001• 23 citations
Publisher

Abstract

The spin-$\frac{1}{2}$ $\mathrm{XXZ}$ 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 $\mathrm{XXZ}$ 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 $\mathrm{XXZ}$ range between the Heisenberg and $\mathrm{XY}$ models there is very little in the literature to compare with our finite lattice estimates of physical properties.

DOI
10.1103/physrevb.64.214411

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We study the field dependence of the antiferromagnetic spin-12\frac{1}{2}21​ Heisenberg model on the square lattice by means of exact diagonalizations. In the first part, we calculate the spin-wave velocity ccc, the spin stiffness ${\ensuremath{\rho}}_{s}$, and the magnetic susceptibility ${\ensuremath{\chi}}_{\ensuremath{\perp}}$, and thus determine the microscopic parameters of the low-energy long-wavelength description. In the second part, we present a comprehensive study of dynamical spin-correlation functions for magnetic fields ranging from zero up to saturation. We find that, at low fields, magnons are well defined in the whole Brillouin zone but the dispersion is substantially modified by quantum fluctuations compared to the classical spectrum. At higher fields, decay channels open and magnons become unstable with respect to multimagnon scattering. Our results directly apply to inelastic neutron-scattering experiments.
We present numerical exact results for the ground state and the low-lying excitations for the spin-1/2 J1-J2 Heisenberg antiferromagnet on finite square lattices of up to N = 40 sites. Using finite-size extrapolation we determine the ground-state energy, the magnetic order parameters, the spin gap, the uniform susceptibility, as well as the spin-wave velocity and the spin stiffness as functions of the frustration parameter J2/J1. In agreement with the generally excepted scenario we find semiclassical magnetically ordered phases for J2 < J c1 2 and J2> J c2 2 separated by a gapful quantum paramagnetic phase. We estimate Jc1 2 ≈ 0.35J1 and J c2 2 ≈ 0.66J1. PACS codes: 75.10.Jm Quantized spin models 75.45.+j Macroscopic quantum phenomena in magnetic systems 1
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.
The quantitative description of long-range order remains a challenge in quantum many-body physics. We provide zero-temperature results from two complementary methods for the ground-state energy per site, the sublattice magnetization, the spin gap, and the transverse spin correlation length for the spin-1/2 quantum XXZ antiferromagnet on the square lattice. On the one hand, we use exact, large-scale quantum Monte Carlo (QMC) simulations. On the other hand, we use the semianalytic approach based on continuous similarity transformations in terms of elementary magnon excitations. Our findings confirm the applicability and quantitative validity of both approaches along the full parameter axis from the Ising point to the symmetry-restoring phase transition at the Heisenberg point and further provide quantitative reference results in the thermodynamic limit. In addition, we analytically derive the relation between the dispersion and the correlation length at zero temperature in arbitrary dimension, and discuss improved second-moment QMC estimators.