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arXiv:2110.11233 · Symmetry

Exact Solution for Three-Dimensional Ising Model

Degang Zhang

Published Oct 1, 2021• 6 citations
arXivHTMLPDF

Abstract

The three-dimensional Ising model in a zero external field is exactly solved by operator algebras, similar to the Onsager’s approach in two dimensions. The partition function of the simple cubic crystal imposed by the periodic boundary condition along two directions and the screw boundary condition along the third direction is calculated rigorously. In the thermodynamic limit an integral replaces a sum in the formula of the partition function. The critical temperatures, at which order–disorder transitions in the infinite crystal occur along three axis directions, are determined. The analytical expressions for the internal energy and the specific heat are also presented.

DOI
10.3390/sym13101837

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The three-dimensional Ising model in a zero external field is exactly solved by operator algebras, similar to the Onsager’s approach in two dimensions. The partition function of the simple cubic crystal imposed by the periodic boundary condition along two directions and the screw boundary condition along the third direction is calculated rigorously. In the thermodynamic limit an integral replaces a sum in the formula of the partition function. The critical temperatures, at which order–disorder transitions in the infinite crystal occur along three axis directions, are determined. The analytical expressions for the internal energy and the specific heat are also presented.
The partition function of a three-dimensional Ising model was calculated by a high-speed computer for a cubic array of twenty-seven points. The periodicity condition was imposed. The specific heat of the 3×3×3 lattice was calculated as a function of temperature. The critical temperature estimated from the specific heat curve seems slightly lower that obtained from the Padé approximation. The zeros of the partition function of the complex temperature plane were also obtained. The critical temperature estimated from the zeros near the positive real axis seems slightly higher than both of the above values. Similar calculations were carried out for the case of the two-dimensional Ising model. Several results are compared with those obtained from Onsager's exact solution.
There is no an exact solution to three-dimensional (3D) finite-size Ising model (referred to as the Ising model hereafter for simplicity) and even two-dimensional (2D) Ising model with non-zero external field to our knowledge. Here by using an elementary but rigorous method, we obtain an exact solution to the partition function of the Ising model with NNN lattice sites. It is a sum of 2N2^N2N exponential functions and holds for DDD-dimensional (D=1,2,3,...D=1,2,3,...D=1,2,3,...) Ising model with or without the external field. This solution provides a new insight into the problem of the Ising model and the related difficulties, and new understanding of the classic exact solutions for one-dimensional (1D) (Kramers and Wannier, 1941) or 2D Ising model (Onsager, 1944). With this solution, the specific heat and magnetisation of a simple 3D Ising model are calculated, which are consistent with the results from experiments and/or numerical simulations. Furthermore, the solution here and the related approaches, can also be available to other models like the percolation and/or the Potts model.
Our aim is to investigate the critical behaviour of lattice spin models such as the three-dimensional Ising model in the thermodynamic limit. The exact partition functions (typically summed over the order of 1075 states) for finite simple cubic Ising lattices are computed using a transfer matrix approach. Q-state Potts model partition functions on two- and three-dimensional lattices are also computed and analysed. Our results are analysed as distributions of zeros of the partition function in the complex-temperature plane. We then look at sequences of such distributions for sequences of lattices approaching the thermodynamic limit. For a controlled comparison, we show how a sequence of zero distributions for finite 2d Ising lattices tends to Onsager’s thermodynamic solution. Via such comparisons, we find evidence to suggest, for example, a thermodynamic limit singular point in the behaviour of the specific heat of the 3d Ising model.
The partition functions of the two- and three-dimensional finite Ising models in the presence of a magnetic field have been calculated with use of a high-speed computer. Periodic boundary conditions were imposed. All the numbers of configurations for the 3×3×3, 5×5, and 4×6 lattices are tabulated. The distribution of zeros of the partition functions in the complex magnetic-field plane has been obtained both for the ferro- and antiferromagnetic cases. The zeros in the ferromagnetic cases are distributed on the unit circle according to the Yang-Lee theorem, and the dependence on temperature of the distribution functions has been studied. In the antiferromagnetic case most of zeros are on the negative real axis, but a certain number of complex roots appear in the left half of the plane. The magnetization and the magnetic susceptibility have been calculated as functions of temperature.
An analytical expression for the partition function of the 3-dimensional Ising Model is obtained (see formula (32)). It is approximate, but has several rational features: (1) It is valid on the whole temperature range from zero to infinity and has only one singular point at uc = 0.2612 in comparision to 0.22 from the series expan-sion; (2) It leads to a nonlogarithmic singularity for the specific heat; (3) It can be reduced into the exact Onsager 2-dimensional solution for planar rectangle lattice in the anisotropic case (see formula (34)) ; (4) It has a high temperature expansion, the first two coefficients are correct and the higher ones diminish systematically but remain positive.