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Journal of Physics A Mathematical and General

Two-parameter expansions for quantum spin systems

J. Oitmaa, Z Weihong

Published Nov 21, 1992• 1 citation
Publisher

Abstract

As an extension of a one-parameter series expansion, a two-parameter expansion technique for quantum spin systems is developed. As examples of the method the authors present results for three different models on the square lattice: the (2+1)-dimensional Ising model with an external magnetic field, and the Heisenberg antiferromagnet with both an external staggered parallel magnetic field and an external perpendicular magnetic field. Analysis of the resulting series is also presented.

DOI
10.1088/0305-4470/25/22/013

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As an extension of a one-parameter series expansion, a two-parameter expansion technique for quantum spin systems is developed. As examples of the method the authors present results for three different models on the square lattice: the (2+1)-dimensional Ising model with an external magnetic field, and the Heisenberg antiferromagnet with both an external staggered parallel magnetic field and an external perpendicular magnetic field. Analysis of the resulting series is also presented.
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.
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.
Classical and quantum spin systems are widely used models in both experimental and theoretical condensed matter physics. In many materials, the electronic interactions can be difficult to model exactly. However, in some insulators (Mott insulators), the magnetic (spin) interactions can be captured well with spin-only models. Several models are studied in this thesis. First, I report the solution of a long-standing issue in a classical frustrated spin model (i.e., where the quantum effects are neglected and the complexity is due to competing interactions): the nature of the thermal phase transition to a stripe state in the two dimensional (2D) J1-J2 model. Here J1 and J2 are nearest- and next-nearest-neighbor couplings. Monte Carlo simulations with single-spin updates are used for the calculations, and an extended-ensemble method, a generalization of the Wang-Landau algorithm, is also developed and tested. I focus on the study of "weak universality" behavior (continuously varying critical exponents, with one of the exponents staying fixed), for which I show a correspondence with a known class of conformal field theories with charge c = 1. Next, moving to quantum spins, to shed light on magnetic systems studied experimentally and to investigate new types of quantum states of interest in developing theories of quantum magnetism, I study the S = 1/2 Heisenberg model on the 2D square lattice with added six-spin interactions (the so-called J-Q3 model) as well as a set of 3D quantum antiferromagnets on dimerized lattices. Here I use the stochastic series expansion quantum Monte Carlo method. In the study of the J-Q3 model, I report on a similar weak-universality behavior as in the classical J1-J2 model, but with a mapping to a different known class of c = 1 conformal field theories. The critical behavior of the system again shows continuously changing exponents, in a way which corresponds to a gradual weakening of Z4 symmetry-breaking to an emergent U(1) symmetry. In the study of dimerized antiferromagnets, I report on a universal behavior of the Néel temperature TN, which can be related to ground state parameters independently of the microscopic interaction details in several different models.
An approximation for calculating the thermodynamic properties of spin-\textonehalf{} Ising models is described. The method is based on the formulation of Kramers and Wannier for the square lattice, and involves expressing the free energy in terms of the limiting maximum eigenvalue of a matrix sequence which represents the contribution from a single spin of the lattice. The application of this formulation to various two- and three-dimensional lattices shows that many of these are characterized by an identically structured matrix sequence with exactly two nonvanishing elements in each row and column. To explore the potential of using this similarity and its simplicity for analyzing Ising models we consider the two-dimensional square lattice in an external field and approximate the doubly infinite lattice by a semi-infinite one consisting of $n (\ensuremath{\le}10)$ infinitely long rows. Calculations are carried out and compared with (1) Onsager's formula for the free energy, (2) the Onsanger-Yang formula for the spontaneous magnetization, and (3) values calculated from series. Except for the region around the critical point where the correlation length exceeds nnn lattice spacings, substantial agreement---to better than 12 places of decimals in some cases---is obtained. As an additional measure of the potential of this method, a value for the critical exponent $\ensuremath{\delta}$ is computed by the extrapolation of the magnetization along the critical isotherm. The result is found to be in excellent agreement with the known value for $\ensuremath{\delta}$.
A newly developed zero-temperature real-space renormalization-group method is applied to the quantum Ising model with a transverse field on different two-dimensional lattices: hexagonal, triangular, and quadratic. The order parameter, spin-spin correlation functions, the critical fields, and the critical exponents describing the low-field-large-field transition are calculated. The influence of size and shape of the spin blocks used in the iterative process is discussed. The results for triangular and hexagonal lattices are new; for the quadratic lattice the calculations show an encouraging agreement with previous series-expansion results. The expected equivalence to the critical behavior of the three-dimensional Ising model is discussed: A reasonable agreement is obtained for the hexagonal lattice.
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