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AIP Advances

A quantum simulation approach for a three-dimensional Ising spin model—Comparison to mean field theory

Zhaosen Liu, Orion Ciftja

Published May 1, 2017• 1 citation
Publisher

Abstract

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.

DOI
10.1063/1.4983212

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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.
A quantum simulation approach facilitated by the self-consistent algorithm was applied in the present work to ferromagnetic and antiferromagnetic three-dimensional Heisenberg lattices consisting of S = 1 spins.Consequently, the calculated spontaneous magnetizations for the two sorts of lattices are precisely consistent with mean-field theory in the whole temperature range.Especially, the numerical results, such as magnetizations, total energies and total free energies per mole of spins, show no size effects.Thus, the physical properties of a huge bulk magnet can be estimated by performing simulation for a very tiny sample, so that the computational time can be greatly saved.
Ising models in nanosystems are studied in the presence of a magnetic field. For a one-dimensional (1-D) array of spins interacting via nearest-neighbour and next-nearest-neighbour interactions we calculate the heat capacity, the surface energy, the finite-size free energy and the bulk free energy per site. The heat capacity versus temperature exhibits a common wide peak for systems of any size. A small peak also appears at lower temperatures for small arrays when the ratio of magnetic field spin interaction energy over the nearest-neighbour spin–spin interaction energy, f, is within . The peak becomes smaller for longer array and eventually vanishes for long arrays, disappearing when the number of spins, N, is greater than 25 when only nearest-neighbour interactions are taken into account, and more than 14 when next-nearest-neighbour interactions are included as well. Ising models in which the nearest-neighbour interactions are ferromagnetic, while the next-nearest-neighbour interactions are either ferromagnetic or antiferromagnetic, are compared, and it is found that the reduced free energy in the former case exhibits a larger deviation from the bulk value.
We investigate low- and high-temperature properties of the ferromagnetic Ising model of infinite-spin. By using the cummulant expansion methods, we obtain low-temperature expansions of the free energy, the specific heat, the spontaneous magnetization, the zero-field susceptibility and so on, and high-temperature expansions of the free energy and the zero-field susceptibility. We compare the results with those obtained by Thompson for the system on the one-dimensional lattice, with those by using Monte Carlo simulations for the systems on the square lattice and on the simple cubic lattice and with those with the aid of the mean-field approximation.
The Ising model was introduced in 1920 to describe a uniaxial system of magnetic moments, localized on a lattice, interacting via nearest-neighbour exchange interaction. It is the generic model for a continuous phase transition and arguably the most studied model in theoretical physics. Since it was solved for a two-dimensional lattice by Onsager in 1944, thereby representing one of the very few exactly solvable models in dimensions higher than one, it has served as a testing ground for new developments in analytic treatment and numerical algorithms. Only series expansions and numerical approaches, such as Monte Carlo simulations, are available in three dimensions. This review focuses on Monte Carlo simulation. We build upon a data set of unprecedented size. A great number of quantities of the model are estimated near the critical coupling. We present both a conventional analysis and an analysis in terms of a Puiseux series for the critical exponents. The former gives distinct values of the high- and low-temperature exponents; by means of the latter we can get these exponents to be equal at the cost of having true asymptotic behaviour being found only extremely close to the critical point. The consequences of this for simulations of lattice systems are discussed at length.
The three-dimensional site-random Ising model consisting of two types of magnetic ions, A and B, is investigated by means of the exchange Monte Carlo method. The nearest-neighbor interactions are antiferromagnetic (AF) for the B-B pair and ferromagnetic (FM) otherwise. A uniform FM or AF ordering is found to exist in a wide range of concentration c of A ions, in contrast with the bond-random Ising model such as the ± J model. The phase diagram is found to be symmetric on the c – T plane, though the ratio of the FM bonds to AF ones is asymmetric with respect to c =1/2. Spin configurations of degenerate ground states and their cluster structure are also studied. Even in the system with c =0.55, there exists only a unique rigid cluster which includes about 90% of spins and that cluster shows nonvanishing uniform magnetization. These results strongly suggest that the present model has neither a spin glass phase nor an FM-AF mixed phase, though their existence in a quite narrow region around c =1/2 has not been completely excluded yet.
In this work, Markov Chain-Monte Carlo technique was used to study the phase transition in two and three dimensional Ising Model (IM) in a square and cubic lattice. The study of temperature dependence of average magnetization and specific heat in different magnetic fields has been carried out in the 3x3 and 3x3x3 lattice with periodic boundary. Critical temperature point kBTc / J for 2D and 3D Ising Model has been observed at around 2.2 and 4.3 respectively at zero field. Our work satisfies Onsager’s critical value in 2D IM. The simulation suggests bifurcation in average magnetization below critical temperature Tc. Temperature plays the role of increasing randomness of spins. We found that Ising Model in small lattice size still retains interesting features like spontaneous magnetization and symmetry breaking below Tc at B = 0. At a non-zero field, the likelihood of spins to prefer certain alignment depends on the direction of the external field and magnitude of magnetization depends on magnitude of field ±B. Specific heat Cv, which gives us fluctuation of energy at particular temperature, has been found to attain maximum value at critical regions.