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Finite lattice methods in statistical mechanics

Murray T. Batchelor

Published Jan 1, 1987• 2 citations
Publisher

Abstract

This thesis is concerned with the finite lattice study of spin models. The underlying theme in Parts I and II is the exploitation of Bethe ansatz equations to provide finite lattice data well beyond the range normally available. In Part I the Bethe ansatz equations for eigenvalues of the eight-vertex model are solved numerically to yield mass gap data on infinitely long strips of up to 512 sites in width. The finite-size corrections, at criticality, to the free energy per site and polarization gap are found to agree with recent studies of the XXZ spin chain. The leading corrections to the finite-size scaling estimates of the critical line and thermal exponent are also found, providing an explanation of the poor convergence seen in earlier studies. Away from criticality, the linear scaling fields are derived exactly in the full parameter space of the spin system, allowing a thorough test of a recently proposed method of extracting linear scaling fields and related exponents from finite lattice data. In Part II, the numerical solutions of the Bethe ansatz equations for the eigen-energies of the XXZ Hamiltonian on very large chains are used to identify, via conformal invariance, the scaling dimensions of various two-dimensional models. With periodic boundary conditions, eight-vertex and Gaussian model operators are found. The scaling dimensions of the Ashkm-Teller and Potts models are obtained by the exact relating of eigenstates of their quantum Hamiltonians to those of the XXZ chain with modified boundary conditions. Eigenstates of the Ashkin-Teller and Potts models with free boundaries are also obtained, allowing an examination of their critical surface properties. In Part HI the critical behaviour of an Ising model with competing firstand third- nearest neighbour interactions on the square lattice is investigated using the finite lattice method. In the ferromagnetic region, the phase boundary is located with an accuracy at least equal to that of alternative methods. In the antiphase region, distinctive structure in the finite lattice estimators is found over an extended temperature range. However, the nature of the transition remains unclear.

DOI
10.25911/5d6f9e0ab2688

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This thesis is concerned with the finite lattice study of spin models. The underlying theme in Parts I and II is the exploitation of Bethe ansatz equations to provide finite lattice data well beyond the range normally available. In Part I the Bethe ansatz equations for eigenvalues of the eight-vertex model are solved numerically to yield mass gap data on infinitely long strips of up to 512 sites in width. The finite-size corrections, at criticality, to the free energy per site and polarization gap are found to agree with recent studies of the XXZ spin chain. The leading corrections to the finite-size scaling estimates of the critical line and thermal exponent are also found, providing an explanation of the poor convergence seen in earlier studies. Away from criticality, the linear scaling fields are derived exactly in the full parameter space of the spin system, allowing a thorough test of a recently proposed method of extracting linear scaling fields and related exponents from finite lattice data. In Part II, the numerical solutions of the Bethe ansatz equations for the eigen-energies of the XXZ Hamiltonian on very large chains are used to identify, via conformal invariance, the scaling dimensions of various two-dimensional models. With periodic boundary conditions, eight-vertex and Gaussian model operators are found. The scaling dimensions of the Ashkm-Teller and Potts models are obtained by the exact relating of eigenstates of their quantum Hamiltonians to those of the XXZ chain with modified boundary conditions. Eigenstates of the Ashkin-Teller and Potts models with free boundaries are also obtained, allowing an examination of their critical surface properties. In Part HI the critical behaviour of an Ising model with competing firstand third- nearest neighbour interactions on the square lattice is investigated using the finite lattice method. In the ferromagnetic region, the phase boundary is located with an accuracy at least equal to that of alternative methods. In the antiphase region, distinctive structure in the finite lattice estimators is found over an extended temperature range. However, the nature of the transition remains unclear.
Numerical solutions of the Bethe-Ansatz equations for the eigenenergies of XXZ Hamiltonian on very large chains are used to identify, via conformal invariance, the scaling dimensions of various two-dimensional models. With periodic boundary conditions, eight-vertex and Gaussian model operators are found. The scaling dimensions of the Ashkin-Teller and Potts models are obtained by the exact relating of eigenstates of their quantum Hamiltonians to those of the XXZ chain with modified boundary conditions. The irrelevant operators governing the dominant finite-size corrections are also identified.
This thesis deals with two two-dimensional lattice models in statistical mechanics. The first of these is the zero-field 20-vertex model on a triangular lattice. This model is the analogue to the ice-type, zero-field six-vertex model on a square lattice. We solve this problem exactly for a restricted set of vertex weights. The other model is the q-component Potts model on a square lattice. This model is equivalent to a staggered ice-type model on a square lattice. Using a variational method we estimate the critical exponent ß for several values of q. In part I we outline the fundamental statistical mechanical ideas needed, including the definition of the partition function and its relation to the thermodynamic quantities. Mention is also made of the existence and uniqueness of the thermodynamic limit for these models. The 20-vertex model is discussed in part II. The transfer matrix approach is adopted and a Bethe ansatz is used for the eigenvector. Unlike the square lattice ice-type model, the triangular lattice 20-vertex model is only soluble by this method for a restricted set of vertex weights. In particular, the ten parameters determining the vertex weights must be expressed in terms of four independent parameters. This results in only one type of non-trivial temperature independent solution. This solution exhibits critical behaviour similar to the square lattice KDP model. The general solution has three states: disordered, antiferroelectric and ferroelectric. Which state the model is in is determined by one of the above four parameters. The transition from the disordered to the antiferroelectric state is of infinite-order (i.e the free energy has an essential singularity), and from the disordered to the ferroelectric state is of finite-order. We also compare our results to the free-fermion solution of the same model and note where the two methods overlap. In part III the Potts model is considered. The model is defined and shown to be equivalent to a staggered ice-type model. A variational principle for the eigenvalues of the transfer matrix of the staggered ice model is determined. Using the zero-temperature solution as a ^uide a simple form for a sequence of approximations to the eigenvector, below T , is developed. By using the variational principle we arrive at a set of matrix equations determining the eigenvector at a given level of approximation. By noting some of the symmetries of the transfer matrix we are able to separate some of the dependences of the matrix elements and consequently simplify the original set of equations. We are also able to express the percolation probability ( the analogue of the spontaneous magnetization for general values of q ) of the Potts model as a simple function of these matrix elements. At each level of approximation there is a set of algebraic equations to solve. We have used an electronic computer to solve these equations for the first five levels of approximation, and for several values of q between zero and four. With our results we estimate the critical exponent 3 for the Potts model. These estimates agree reasonably well with previous work and indicate 3=0.145 ±.017 for q=l.
Eigenspectra of the critical quantum Ashkin-Teller and Potts chains with free boundaries can be obtained from that of the XXZ chain with free boundaries and a complex surface field. By deriving and solving numerically the Bethe ansatz equations for such boundaries the authors obtain eigenenergies of XXZ chains of up to 512 sites. The conformal anomaly and surface exponents of the quantum XXZ, Ashkin-Teller, and Potts chains are calculated by exploiting their relations with the mass gap amplitudes as predicted by conformal invariance.
The authors are concerned with the critical properties of the anisotropic Heisenberg chain, or XXZ model, with arbitrary integer or half-integer spin. The eigenspectra of these Hamiltonians, with periodic boundaries, are calculated for finite chains by solving numerically their associated Bethe ansatz equations. The resulting spectra are found to be in accord with the predictions of conformal invariance and the operator content is identified, for lattices with an even and odd number of sites. The results for spin 1 and spin 3/2 indicate that the conformal anomaly c for these models, in the gapless regime, has the value c=3S/(1+S), independent of the anisotropy, and the exponents vary continuously with the anisotropy as in the eight-vertex model. The operator content of these models indicate that the underlying field theory governing these critical spin-S models is described by composite fields formed by the product of Gaussian and Z(N) fields, with N=2S. Finally some of the irrelevant operators which produce the leading finite-size corrections of the eigenenergies are identified.
An analysis is made of various methods of phenomenological renormalization based on finite-size scaling equations for inverse correlation lengths, the singular part of the free energy density, and their derivatives. The analysis is made using two-dimensional Ising and Potts lattices and the three-dimensional Ising model. Variants of equations for the phenomenological renormalization group are obtained which ensure more rapid convergence than the conventionally used Nightingale phenomenological renormalization scheme. An estimate is obtained for the critical finite-size scaling amplitude of the internal energy in the threedimensional Ising model. It is shown that the two-dimensional Ising and Potts models contain no finite-size corrections to the internal energy so that the positions of the critical points for these models can be determined exactly from solutions for strips of finite width. It is also found that for the two-dimensional Ising model the scaling finite-size equation for the derivative of the inverse correlation length with respect to temperature gives the exact value of the thermal critical exponent. PACS: 05.10.Cc, 64.60.Ak, 05.50.+q, 75.10.Hk 1 1
In this paper we propose an efficient routine to carry out finite size scaling studies of one-dimensional massive lattice models. Unlike massless systems, for which the lattice and continuum models yield the same results for low-lying excitations due to the infinite correlation length, the massive continuum models can at best approximate their lattice counterparts because of the intrinsic length scale $\ensuremath{\xi}\ensuremath{\sim}{\ensuremath{\Delta}}^{\ensuremath{-}1},$ where $\ensuremath{\Delta}$ is the mass gap. On examples of antiferromagnetic gapped spin-1/2 XXZ\mathrm{XXZ}XXZ chains we show explicitly that several relations between physical quantities like the mass gap, spin-wave velocity v,v,v, and the correlation length \ensuremath{\xi}, derived from the continuum models deviate significantly from the numerical results obtained for finite chains, when $\ensuremath{\xi}$ is comparable with the lattice spacing a0.{a}_{0}.a0​. On the other hand, we find if the dispersion for elementary excitations is modified from the ``Lorentz invariant'' form $\sqrt{{\ensuremath{\Delta}}^{2}{+v}^{2}{p}^{2}}$ to $\sqrt{{\ensuremath{\Delta}}^{2}{+v}^{2}{\mathrm{sin}}^{2}p},$ the spin-wave velocity vvv becomes almost size independent, and the appropriately defined correlation length using that dispersion agrees very well with numerical results. In fact, this follows from the Bethe ansatz solution for the spin-1/2 XXZ\mathrm{XXZ}XXZ chains. Based on our previous experience and these considerations we propose scaling equations to obtain the ground-state energy, mass gap, correlation length, spin-wave velocity, and scattering length between the massive elementary excitations. Only three low energy levels are needed in this method. Although the method is illustrated on the gapped XXZ\mathrm{XXZ}XXZ quantum spins, it is applicable to all one-dimensional lattice models with massive relativistic low energy dispersions. To substantiate our statement we show explicitly that the numerical data for the Ising model in a transverse magnetic field fully agree with the finite-size scaling based on the correlation length newly defined from the exact analytic solution.