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Zhongguo kexue. Wulixue Lixue Tianwenxue

Simulation of 3-dimensional finite Ising model

Wei Yang, Chunxiang Cui, Bin CAO

Published Mar 10, 2017• 0 citations
Publisher

Abstract

We have developed a method to change the transfer matrix V1 of 3D Ising model into a much smaller transfer matrix. V1 can be written as the linear combination of basic vectors. We discover that these basic vectors can be divided into several groups. The point product of one basic vector and V1 can be written as the linear combination of basic vectors from the same group. Based on that, we establish a new transfer matrix V2 to describe the relationship between basic vectors of the same group. The number of members from the same group is the order of V2. V2 is much smaller than V1 and contains the largest eigenvalue of V1. We use this method to calculate the specific heat and magnetic momentum per atom. The results show that there’s a pair of temperature and magnetic field strength that can make the specific heat get to its maximum value. When N1N2 increases, the maximum value of specific heat increases too.

DOI
10.1360/sspma2016-00377

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We have developed a method to change the transfer matrix V1 of 3D Ising model into a much smaller transfer matrix. V1 can be written as the linear combination of basic vectors. We discover that these basic vectors can be divided into several groups. The point product of one basic vector and V1 can be written as the linear combination of basic vectors from the same group. Based on that, we establish a new transfer matrix V2 to describe the relationship between basic vectors of the same group. The number of members from the same group is the order of V2. V2 is much smaller than V1 and contains the largest eigenvalue of V1. We use this method to calculate the specific heat and magnetic momentum per atom. The results show that there’s a pair of temperature and magnetic field strength that can make the specific heat get to its maximum value. When N1N2 increases, the maximum value of specific heat increases too.
In order to calculate 3-dimensional Ising model, we develop a method to build a much smaller transfer matrix containing the largest eigenvalue from the original 2 N 1 N 2 ×2 N 1 N 2 matrix V 1 . Firstly, the transfer matrix V 1 is written as the linear combination of several basic vectors. Secondly, we divide the basic vectors into several subgroups. The multiplication of a basic vector and V 1 can be written as the linear combination of basic vectors from the same subgroup. Finally, we use a new transfer matrix V 2 to describe the relationship between basic vectors of the same subgroup. V 2 is much smaller than the original transfer matrix and contains the largest eigenvalue of V 1 . We use this method to calculate the specific heat per atom C pa and the magnetic momentum per atom M pa . The results show that there exists a pair of temperature and magnetic field intensity where the specific heat gets to its maximum value. When N 1 N 2 increases, the maximum value of specific heat becomes larger.
The transfer matrices for the ferromagnetic Ising model on the two- and three-dimensional lattices with finite size are formulated using the screw method introduced by Kramers and Wannier, and the largest and next largest eigenvalues of matrices are obtained by a computer. Then the specific heats and magnetic susceptibilities are calculated for each system with various sizes. By use of the finite-size scaling and Roomany-Wyld approximations, the critical exponents of the infinite-size systems are evaluated. They are in quite good agreement with the reliable ones.
A magnetic property of the one dimensional spin 5/2 Ising model under the magnetic field has been investigated by means of transfer matrix method. Thermodynamic response functions are also obtained for varying values of scaling temperature and scaling magnetic field. Entropy and heat capacity of the system were calculated by benefiting from the temperature dependencies of Helmholtz free energy. Our simulation results demonstrate that as the strength of the magnetic field is increased, heat capacity tend to shift to the relatively higher temperature regions, and these findings are consistent with previous results for the low spin values in one dimensional Ising systems.
The eigenvalue problem of three-dimensional Ising model is solved in successive screw approximation on a computer. Suitable extrapolation of the results suggests that the maximum value of the specific heat of the simple cubic lattice tends to infinity, in proportion to the logarithm of the number of spins making up each layer. It does not seem unreasonable to consider that the temperature at which the specific heat has a maximum gradually approaches to the critical temperature predicted from the Padé approximant method as the number of spins in each layer increases.
The use of a transfer matrix method to solve the 3D Ising model is straightforwardly generalized from the 2D case. We follow B.Kaufman's approach. No approximation is made, however the largest eigenvalue cannot be identified. This problem comes from the fact that we follow the choice of directions of 2-dimensional rotations in the direct product space of the 2D Ising model such that all eigenvalue equations reduce miraculously to only one equation. Other choices of directions of 2-dimensional rotations for finding the largest eigenvalue may lose this fascinating feature. Comparing the series expansion of internal energy per site at the high temperature limit with the series obtained from the computer graphic method, we find these two series have very similar structures. A possible correct via a factor Φ(x) is suggested to fit the result of the graphic method.
We use a recently developed quantum simulation approach to study the properties of a three-dimensional Ising model consisting of S = 1/2 quantum spins localized at the sites of a simple cubic lattice. We assume nearest-neighbor interaction between spins with an exchange interaction that can be either ferromagnetic or antiferromagnetic. It is found that the computational method quickly converges towards the expected equilibrium spin configurations. The resulting spontaneous magnetization curves corresponding to the two types of magnetic interactions under consideration were found to be almost identical to the ones obtained via quantum mean field theory at all temperatures. The derived total energies, total free energies, magnetic entropies and specific heats per mole of spins show no sizeable differences from known theoretical values. Furthermore, the results of the simulations for two different 3D Ising systems containing 4×4×4 and 20×20×20 spins localized at the sites of a simple cubic lattice were found to be almost identical to each other. This finding suggests that the self-consistent algorithm approach of the current simulation method allows one to obtain the physical bulk properties of a large magnetic system by relying on simulations of a much smaller spin system sample. Therefore, the method presently considered appears to be not only very accurate as gauged by comparison to mean field theory, but also able to greatly increase the speed of simulations.