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arXiv:1312.4915 · Condensed Matter Physics

Meron-cluster simulation of the quantum antiferromagnetic Heisenberg model in a magnetic field in one- and two-dimensions

Palma, A. Riveros

Published May 25, 2015• 8 citations
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Abstract

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.

DOI
10.5488/cmp.18.23002

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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.
Numerical simulations of numerous quantum systems suffer from the notorious sign problem. Meron-cluster algorithms lead to an efficient solution of sign problems for both fermionic and bosonic models. Here we apply the meron concept to quantum spin systems in an arbitrary external magnetic field, in which case standard cluster algorithms fail. As an example, we simulate antiferromagnetic quantum spin ladders in a uniform external magnetic field that competes with the spin-spin interaction. The numerical results are in agreement with analytic predictions for the magnetization as a function of the external field.
Quantum phase transition of site-diluted and bond-diluted Heisenberg antiferromagnets on square lattices is studied. By using the novel continuous-time loop algorithm, we perform quantum Monte Carlo simulations on quite larger lattices at extremely lower temperatures than the previous numerical studies. It is found that the antiferromagnetic long-range order at T = 0 persists so long as a cluster of magnetic sites percolates, that is, the critical concentration is equal to the classical percolation threshold, in both of the site-diluted and bond-diluted cases. Furthermore, we find that some critical exponents, such as the magnetization exponent β, are non-classical and strongly depend on the spin size S. On the other hand, we show that the correlation-length exponent ν is universal and is equal to the classical value (ν=4/3).
The continuous imaginary-time quantum Monte Carlo method with the worm update algorithm is applied to explore the ground-state properties of the spin-1/2 Heisenberg model with antiferromagnetic (AF) coupling J>0 and ferromagnetic (F) coupling J^{'}<0 along zigzag and armchair directions, respectively, on honeycomb lattice. It is found that by enhancing the F coupling J^{'} between zigzag AF chains, the system is smoothly crossover from one-dimensional zigzag spin chains to a two-dimensional magnetic ordered state. In absence of an external field, the system is in a stripe-ordered phase. In the presence of uniform and staggered fields, the uniform and staggered out-of-plane magnetizations appear while the stripe order remains in the xy plane, and a second-order quantum phase transition (QPT) at a critical staggered field is observed. The critical exponents of correlation length for QPTs induced by a staggered field for the cases with J>0, J^{'}<0 and J<0, J^{'}>0 are obtained to be ν=0.70046(1) and 0.7086(3), respectively, indicating that both cases belong to O(3) universality. The corresponding dynamic and susceptibility exponent z and γ/ν are fitted to be 1.006572(9), 1.9412(2) and 1.004615(8), 1.96121(9) for the two cases, respectively. The scaling behavior in a staggered field is analyzed, and the ground-state phase diagrams in the plane of coupling ratio and staggered field are presented for two cases. The temperature dependence of susceptibility and specific heat of both systems in external magnetic fields is also discussed. A Kosterlitz-Thouless phase transition is found for the present system in a uniform field.
In this thesis the quantum Monte Carlo loop algorithm is applied to study the properties of correlation functions in low-dimensional quantum antiferromagnets. Two different types of lattice models are investigated. The first system is the quantum critical XXZ chain. The second class of models emerges when coupling the square lattice Heisenberg model to phonons. In case of the quantum critical XXZ chain, the loop algorithm is used to compute the two-point spin and dimer correlation functions at low temperatures. Starting from the well-known asymptotic expressions from conformal field theory for the decay of the correlations, the crossover from the finite-temperature to the ground state behavior is investigated. In addtion, the Monte Carlo data are used to extract numerical estimates for the correlation amplitudes. The deviations from asymptotic scaling at low finite temperatures and intermediate distances are examined. The results are also used to study the algebraic and logarithmic corrections in the ground state. The method is further applied to compute the low-temperature spin correlations of the square lattice Heisenberg model coupled to dispersionless Einstein phonons. Also, statically dimerized Heisenberg models in two dimensions are investigated. Here the quantum Monte Carlo technique is used to determine the specific pattern of dimerized bonds which has the largest gain in the magnetic energy. A direct comparison of ground state energies is only possible for a small number of dimerized systems. For this reason an alternative approach is developed, which allows to study a significantly larger class of models. Starting from a Landau expansion of the free energy, this amounts to a computation of specific structure factors of the dimer correlations of the uniform Heisenberg model. As a consequence, a Landau theory for the two-dimensional counterpart of the spin-Peierls transition is established. This adiabatic approach also applies to the Heisenberg model coupled to dispersive phonons. In this case the data for the dimer correlations are used to study the impact of the spin-phonon coupling on the phonon dispersion relations. In particular, the softening of phonon modes is investigated, which is relevant for experimental studies on substances with a quasi two-dimensional magnetic structure.
An approach for studying phase transitions in systems with quantum degrees of freedom is discussed. Starting from the microscopic Hamiltonian of a quantum model, we first derive a set of exact differential equations for the free energy and the correlation functions describing the effects of fluctuations on the thermodynamics of the system. These equations reproduce the full renormalization group structure in the neighborhood of a critical point keeping, at the same time, full information on the nonuniversal properties of the model. As a concrete application we investigate the phase diagram of a Heisenberg antiferromagnet in a staggered external magnetic field. At long wavelengths the known relationship to the quantum nonlinear $\ensuremath{\sigma}$ model naturally emerges from our approach. By representing the two point function in an approximate analytical form, we obtain a closed partial differential equation which is then solved numerically. The results in three dimensions are in good agreement with available quantum Monte Carlo simulations and series expansions. More refined approximations to the general framework presented here and few applications to other models are briefly discussed.
The classical Heisenberg model is one of the most fundamental models in statistical and condensed matter physics. Extensive theoretical and numerical studies suggest that, in two dimensions, this model does not exhibit a finite-temperature phase transition but instead manifests asymptotic freedom. However, some research has also proposed the possibility of a Berezinskii-Kosterlitz-Thouless (BKT) phase transition over the years. In this study, we revisit the classical two-dimensional (2D) Heisenberg model through large-scale simulations with linear system sizes up to L=16384L=16384L=16384. Our Monte Carlo data, without any extrapolation, clearly reveal an exponential divergence of the correlation length $\ensuremath{\xi}$ as a function of the inverse temperature $\ensuremath{\beta}$, a hallmark of asymptotic freedom. Moreover, extrapolating $\ensuremath{\xi}$ to the thermodynamic limit in the low-temperature regime achieves close agreement with the three-loop perturbative calculations. We further propose a finite-size scaling (FSS) ansatz for $\ensuremath{\xi}$, demonstrating that the pseudocritical point ${\ensuremath{\beta}}_{L}$ diverges logarithmically with LLL. The thermodynamic and finite-size scaling behaviors of the magnetic susceptibility $\ensuremath{\chi}$ are also investigated and corroborate the predictions of asymptotic freedom. Our paper provides solid evidence for asymptotic freedom in the 2D Heisenberg model and advances understanding of finite-size scaling in such systems.