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Acta Physica Polonica A

Verification of a New Quantum Simulation Approach through Its Application to Heisenberg-Like Models

Zhaosen Liu, Hou Ian

Published Jun 1, 2016• 2 citations
Publisher

Abstract

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.

DOI
10.12693/aphyspola.129.1210

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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.
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.
We have studied the dynamics of the classical Heisenberg chain at finite and infinite temperatures by computer simulation of an array of 4000 spins. The evaluation of the spin-spin and energy-energy wave-vector- and time-dependent correlation functions out to time $10{J}^{\ensuremath{-}1}$ made it possible to determine the spin and energy diffusion constants. At infinite temperature we find ${D}_{S}=(1.33\ifmmode\pm\else\textpm\fi{}0.10)JS{a}^{2}$ and ${D}_{E}=(3\ifmmode\pm\else\textpm\fi{}1)JS{a}^{2}$. Values of DS{D}_{S}DS​ have also been determined, with less precision, for ferromagnetic and antiferromagnetic interactions at temperatures kBT∣J∣=1.0and0.5\frac{{k}_{B}T}{|J|}=1.0 \mathrm{and} 0.5∣J∣kB​T​=1.0and0.5. Our results are compared with various theoretical estimates. In addition, we calculate the time-dependent spin and energy self-correlation functions.
A quantum Monte Carlo simulation scheme for spin systems is presented. The method is a generalization of Handscomb's method but applicable to any length of the spin, i.e., when the spin traces cannot be evaluated analytically. The Monte Carlo sampling is extended to the space of spin vectors in addition to the usual operator-index sequences. An important technical point is that the index sequences are augmented with the aid of unit operators to a constant, self-consistently determined length. The scheme is applied to the one-dimensional antiferromagnetic spin-S Heisenberg model. Results at low temperatures are reported for S=1 and S=3/2 and system sizes up to N=64. The computed magnetic structure factor in the S=1 chain is in agreement with earlier ground-state calculations. For S=3/2 we find the exponent \ensuremath{\gamma}\ifmmode\bar\else\textasciimacron\fi{}=0.49\ifmmode\pm\else\textpm\fi{}0.04 for the divergence of the antiferromagnetic structure factor. Further, the susceptibility as a function of the wave number is computed. For S=1 the staggered susceptibility \ensuremath{\chi}(\ensuremath{\pi}) at T=0 is found to take the value 20.0\ifmmode\pm\else\textpm\fi{}1.5 in units such that \ensuremath{\chi}(q)\ensuremath{\rightarrow}${\mathit{T}}^{\mathrm{\ensuremath{-}}1}$ at high temperatures (with the temperature scale defined by kB{\mathit{k}}_{\mathit{B}}kB​=1). For S=3/2 we obtain the exponent \ensuremath{\gamma}=1.45\ifmmode\pm\else\textpm\fi{}0.05 for the divergence of the staggered susceptibility.
The well-known finite-lattice method for the calculation of the properties of quantum spin systems on a two-dimensional lattice at zero temperature was introduced in 1978. The method has now been greatly improved for the square lattice by including finite lattices based on parallelogram tiles as well as the familiar finite lattices based on square tiles. Dozens of these new finite lattices have been tested and graded using the [Formula: see text] ferromagnet. In the process new and improved estimates have been obtained for the XY model's ground-state energy per spin, ε0 = −0.549 36(30) and spontaneous magnetization per spin, m = 0.4349(10). Other properties such as near-neighbour, zero-temperature spin–spin correlations, which appear not to have been calculated previously, have been estimated to high precision. Applications of the improved finite-lattice method to other models can readily be carried out.
Motivated by the numerical simulation of systems which display quantum phase transitions, we present a novel application of the meron-cluster algorithm to simulate the quantum antiferromagnetic Heisenberg model coupled to an external uniform magnetic field both in one and in two dimensions.In the infinite volume limit and at zero temperature we found numerical evidence that supports a quantum phase transition very close to the critical values B c = 2 and B c = 4 for the system in one and two dimensions, respectively.For the one dimensional system, we have compared the numerical data obtained with analytical predictions for the magnetization density as a function of the external field obtained by scaling-behaviour analysis and Bethe Ansatz techniques.Since there is no analytical solution for the two dimensional case, we have compared our results with the magnetization density obtained by scaling relations for small lattice sizes and with the approximated thermodynamical limit at zero temperature guessed by scaling relations.Moreover, we have compared the numerical data with other numerical simulations performed by using different algorithms in one and two dimensions, like the directed loop method.The numerical data obtained are in perfect agreement with all these previous results, which confirms that the meron-algorithm is reliable for quantum Monte Carlo simulations and applicable both in one and two dimensions.Finally, we have computed the integrated autocorrelation time to measure the efficiency of the meron algorithm in one dimension.
We analyze the temperature dependence of the entropy of the spin-1/2 Heisenberg model on the three-dimensional simple-cubic lattice, for both the case of antiferromagnetic and ferromagnetic nearest-neighbor exchange interactions. Using optimized extended ensemble quantum Monte Carlo simulations, we extract the entropy at the critical temperature for magnetic order from a finite-size scaling analysis. For the antiferromagnetic case, the critical entropy density equals 0.341(5)kB0.341(5){k}_{B}0.341(5)kB​, whereas for the ferromagnet, a larger value of 0.401(5)kB0.401(5){k}_{B}0.401(5)kB​ is obtained. We compare our simulation results to estimates put forward recently in studies assessing means of realizing the antiferromagnetic N\'eel state in ultracold fermion gases in optical lattices.