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Canadian Journal of Physics

Application of many-fermion techniques to lattice statistical problems

R. W. Gibberd

Published Apr 1, 1969• 2 citations
Publisher

Abstract

The partition functions of many lattice statistical problems, such as the Ising models, the dimer model, and the ferroelectric model, have been written in the following general form:[Formula: see text]For models that can be solved by the pfaffian technique, H(j) is a quadratic function of fermion operators, but otherwise H(j) also contains quartic functions of fermion operators, making the above expression intractable to exact evaluation. General field theoretical perturbation methods, such as the Green's function techniques and the diagonalization (by a Fourier transformation) of the Hamiltonian, Ho(j), are developed in relation to the above expression. It is shown that the partition function for unsolved problems can be expressed in terms of an "irreducible vertex part" for which low-order approximations can be obtained. This general formalism is applied to the next-nearest neighbor two-dimensional Ising lattice. A first-order approximation is obtained for the irreducible vertex part, and the critical properties are obtained. For the equivalent-neighbor model, the critical temperature obtained is in excellent agreement with the series expansion results, being only 0.4 % higher.

DOI
10.1139/p69-102

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The partition functions of many lattice statistical problems, such as the Ising models, the dimer model, and the ferroelectric model, have been written in the following general form:[Formula: see text]For models that can be solved by the pfaffian technique, H(j) is a quadratic function of fermion operators, but otherwise H(j) also contains quartic functions of fermion operators, making the above expression intractable to exact evaluation. General field theoretical perturbation methods, such as the Green's function techniques and the diagonalization (by a Fourier transformation) of the Hamiltonian, Ho(j), are developed in relation to the above expression. It is shown that the partition function for unsolved problems can be expressed in terms of an "irreducible vertex part" for which low-order approximations can be obtained. This general formalism is applied to the next-nearest neighbor two-dimensional Ising lattice. A first-order approximation is obtained for the irreducible vertex part, and the critical properties are obtained. For the equivalent-neighbor model, the critical temperature obtained is in excellent agreement with the series expansion results, being only 0.4 % higher.
It is shown that an application of the techniques of division and integration of lattice sites reduces Ising models to equivalent vertex models. When the Ising model is on a two-dimensional lattice and no crossing occurs for any two of line segments connecting two lattice sites between which an interaction exists, the equivalent vertex model is shown to be a free-fermion vertex model. An argument is also given to show that the present method provides a method of expressing the partition function of a general Ising model on the square lattice, with noncrossing interactions within a square plaquette, in terms of a determinant of a 4×4 matrix.
This is a continuation of an effort to reduce to the solution of a characteristic value problem the rigorous calculation of thermodynamic properties of systems in which the intermolecular forces are sufficiently short ranged so that practically the entire potential energy of the system results from interactions between nearest neighbors. The partition function of such a system can be expressed in terms of the largest characteristic value of a linear operator equation and finally as the ratio of partition functions of systems with relatively few particles whose potential energy functions differ somewhat from those in the original system. A method of evaluating grand partition functions and one of introducing interactions between more distant neighbors are discussed. The general theory is applied to the calculation of magnetization, internal energy, and specific heat of two-dimensional ferromagnets on the basis of the Ising model. There seems to exist a λ-point phase transition in the change from ferromagnetic to nonferromagnetic states.
The partition function ZZZ of a two-dimensional Ising lattice is evaluated by expressing it in the form $Z=\ensuremath{\Sigma}{i}^{}\ensuremath{\lambda}_{i}^{}{}_{}{}^{\mathrm{nm}}$ where ${\ensuremath{\lambda}}_{i}$ are the eigenvalues of a 2n{2}^{n}2n-dimensional matrix M, nnn is the number of rows and mmm the number of columns of the lattice. M is a generalization of the V-shaped matrix studied by Kramers and Wannier in connection with the same problem. It is shown that M can be expressed in terms of 2n{2}^{n}2n-dimensional representations of 2n2n2n-dimensional orthogonal matrices. The eigenvalues of M are determined for nnn large by making use of the known relations between the eigenvalues of a 2n2n2n-dimensional orthogonal matrix and the eigenvalues of its 2n{2}^{n}2n-dimensional representative.The lattice considered differs only slightly from that treated by Onsager and Kaufman. In the lattice considered here, the boundary effects are eliminated by introducing an interaction between the last lattice point of each row and the first point of the next row. The matrix V considered by Onsager and Kaufman is, except for the boundary effects, equivalent to the matrix Mn{\mathbf{M}}^{n}Mn. ZZZ is shown to differ from the partition function calculated by Onsager and Kaufman only in order ${n}^{\ensuremath{-}2}$.
The problem of N interacting spins on a lattice is equivalent to one of N clusters linked in a specific manner. The energy of any configuration of spins can be expressed in terms of the energy levels of this cluster. A new expression is obtained for the probability of occurrence of any configuration. A closed form expression is obtained for the partition function per spin in terms of the energy levels of this cluster with the degeneracies being a function of temperature. On physical grounds it is suggested to be the form of the exact partition function per spin. The partition functions of Ising-like systems all have a common form. For the 3D Ising model seven functions need to be determined to describe the partition function completely. The key to understanding second order phase transitions and critical phenomena lies in the temperature dependence of various degeneracies. It is necessary to develop new techniques to determine the partition function that account for this temperature dependence, as it would represent the underlying physics correctly.
Partition function zeros are powerful tools in understanding critical behavior. In this paper, we present results of the Fisher zeros of two-dimensional Ising models, in the framework of free-fermion eight-vertex model. First, we succeed in finding special boundary conditions for the free-fermion model, under which the partition function of a finite lattice can be expressed in a double product form. Using appropriate mappings, these boundary conditions are transformed into the corresponding versions of the square, triangular, and honeycomb lattice Ising models. Each Ising model is studied in the cases of a zero field and of an imaginary field i ( π / 2 ) k B T . For the square lattice model, we rediscover the famous Brascamp-Kunz (B-K) boundary conditions. For the triangular and honeycomb lattice models, we obtain the B-K-type boundary conditions, and the Fisher zeros are conveniently solved from the product form of partition function. The advantage of B-K-type boundary conditions is that the Fisher zeros of any finite lattice exactly lie on certain loci, and the accumulation points of zeros can be easily determined in the thermodynamic limit. Our finding and method would be very helpful in studying the partition function zeros of vertex and Ising models.
In Chapter 9 we applied the second quantization to the Hartree–Fock method. In this chapter we provide the basic aspects of the thermal Green function method, which is convenient for systematic perturbative expansion beyond the mean-field approximation. Several problems in quantum statistical mechanics can be elegantly and compactly described in terms of the so-called Matsubara Green functions (Matsubara (1955); Abrikosov et al. (1963)). Hence, if on one hand, the density matrix description, often used in the previous chapters, has a more direct physical interpretation, on the other hand the Green function method is far more powerful and takes advantage of a handy diagrammatic perturbation expansion. In the following chapters, we rely on the Green function for a more complete treatment of some many-body problems. To be self contained we introduce here this technical chapter with a short presentation of the by now standard Green function method. For a comprehensive treatment we refer the reader to the many books available and in particular to Abrikosov et al. (1963). The Matsubara Green function The main aim of quantum statistical mechanics is the evaluation of the partition function (see Eqs. (6.31) and (6.32)), e.g. in the grand canonical ensemble In the case of quantum gases one can evaluate Ƶ exactly as we did in Chapter 7. In general, the evaluation of the partition function is a difficult task and it is useful to use perturbation theory to obtain approximate solutions. To set up a perturbation theory, one begins by splitting the Hamiltonian as H = H 0 + H i, where H 0 represents the “easy” part, which can be solved exactly. In the second step, one could naturally think of expanding the exponential of the interacting part H i in order to write the partition function as a perturbative series. However, such a procedure requires extreme care due to the non-commutative nature of operators in quantum mechanics. The way of solving this problem is via the “ time ” ordering of operators in each term of the perturbative expansion. It can be shown, as we shall see in the present chapter, that the quantum statistical average of any time-ordered sequence of operators with respect to the unperturbed Hamiltonian H 0 can be expressed in terms of elementary quantum statistical averages of two field operators. Such elementary averages are called Green functions and in this section we introduce the basic definitions concerning them.