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Journal of the Physical Society of Japan

Statistical Thermodynamics of Finite Ising Model. I

Syû Ono, Yukihiko Karaki, Masuo Suzuki, Chikao Kawabata

Published Jul 1, 1968• 53 citations
Publisher

Abstract

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.

DOI
10.1143/jpsj.25.54

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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.
The partition functions of the finite Ising models of spin S =1, 3/2, 2, 5/2 and 3 have been calculated by a high speed computer. The periodicity condition at the boundaries has been imposed, and only the nearest neighbor interaction has been assumed. The specific heats of these finite systems have been calculated as a function of temperature. The maxima of the specific heat increase proportionally to long N in the two-dimensional Ising model with spin S =1, N being the number of lattice points, which indicates that the specific heat for the above lattice has a singularity such as C v / k ∼ A log | T - T c |+ B ± : A ∼0.10 and B - - B + =0.24. The difference ( B + - B - ) has been estimated from the asymmetric distribution of the zeros of the partition function in the complex temperature plane.
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.
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 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.
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.