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arXiv:1307.4529 · Physical Review E

Monte Carlo simulation with aspect-ratio optimization: Anomalous anisotropic scaling in dimerized antiferromagnets

Shinya Yasuda, Synge Todo

Published Dec 30, 2013• 19 citations
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Abstract

We present a method that optimizes the aspect ratio of a spatially anisotropic quantum lattice model during the quantum Monte Carlo simulation, and realizes the virtually isotropic lattice automatically. The anisotropy is removed by using the Robbins-Monro algorithm based on the correlation length in each direction. The method allows for comparing directly the value of the critical amplitude among different anisotropic models, and identifying the universality more precisely. We apply our method to the staggered dimer antiferromagnetic Heisenberg model and demonstrate that the apparent nonuniversal behavior is attributed mainly to the strong size correction of the effective aspect ratio due to the existence of the cubic interaction.

DOI
10.1103/physreve.88.061301

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We present a method that optimizes the aspect ratio of a spatially anisotropic quantum lattice model during the quantum Monte Carlo simulation, and realizes the virtually isotropic lattice automatically. The anisotropy is removed by using the Robbins-Monro algorithm based on the correlation length in each direction. The method allows for comparing directly the value of the critical amplitude among different anisotropic models, and identifying the universality more precisely. We apply our method to the staggered dimer antiferromagnetic Heisenberg model and demonstrate that the apparent nonuniversal behavior is attributed mainly to the strong size correction of the effective aspect ratio due to the existence of the cubic interaction.
We present a method that optimizes the aspect ratio of a lattice during the Monte Carlo simulations and realizes the virtually isotropic lattice automatically. Based on the correlation lengths, the system linear lengths, including the imaginary-time direction for the quantum models, are tuned by the Robbins-Monro algorithm. The method enables us to compare directly the value of critical amplitude among different anisotropic models, and helps with identifying the universality class. We apply the present method to anisotropic and transverse field Ising models and two kinds of dimerized Heisenberg antiferromagnets, the staggered and columnar dimer models, and discuss the universality and the corrections to scaling.
Using large-scale quantum Monte Carlo simulations, we determine the ground state phase diagram of the spin-1/2 antiferromagnetic Heisenberg model on the honeycomb lattice for the most generic case of three varying interaction strengths along the different lattice directions. We identify continuous quantum phase transition lines that separate the long-range ordered antiferromagnetic regime from three distinct quantum-disordered phases, each characterized by dominant dimer-singlet formations. The finite-size behavior along these phase transition lines exhibits anomalously large corrections to scaling, which we relate to similar recent findings in certain dimerized quantum spin systems and to singular one-dimensional limits in the model parameter space. We also comment more generally on the nonuniversality of critical cumulant ratios in anisotropic systems and attempts to restore universality by varying the aspect ratio.
Motivated by the indication of a new critical theory for the spin-1/2 Heisenberg model with a spatially staggered anisotropy on the square lattice, we reinvestigate the phase transition of this model induced by dimerization using first-principle Monte Carlo simulations. We focus on studying the finite-size scaling of ${\ensuremath{\rho}}_{s1}2L$ and ${\ensuremath{\rho}}_{s2}2L$, where LLL stands for the spatial box size used in the simulations and ${\ensuremath{\rho}}_{si}$, with $i\ensuremath{\in}{1,2}$, is the spin-stiffness in the iii-direction. Remarkably, while we observe a large correction to scaling for the observable ${\ensuremath{\rho}}_{s1}2L$, the data for ${\ensuremath{\rho}}_{s2}2L$ exhibit a good scaling behavior without any indication of a large correction. As a consequence, we are able to obtain a numerical value for the critical exponent $\ensuremath{\nu}$, which is consistent with the known O(3)O(3)O(3) result with moderate computational effort. Further, we additionally carry out an unconventional finite-size scaling analysis with which we assume that the ratio of the spatial winding numbers squared is fixed through all simulations. The theoretical correctness of our idea is argued and its validity is confirmed. Using this unconventional finite-size scaling method, even from ${\ensuremath{\rho}}_{s1}L$, which receives the most serious correction among the observables considered in this study, we are able to arrive at a value for $\ensuremath{\nu}$ consistent with the expected O(3)O(3)O(3) value. A detailed investigation to compare these two finite-size scaling methods should be performed.
Motivated by the unexpected Monte Carlo results as well as the theoretical proposal of a large correction to scaling for the critical theory of the 2-d staggered-dimer spin-1/2 Heisenberg model on the square lattice, we study the phase transitions induced by dimerization of several dimerized quantum Heisenberg models with spatial anisotropy using first principles Monte Carlo method. Remarkably, while our Monte Carlo data for all the models considered here, including the herringbone- and ladder-dimer models on the square lattice, are compatible with the recently proposed scenario of an enhanced correction to scaling, we find it is likely that the enhanced correction to scaling manifests itself as amplification of the nonuniversal prefactors appeared in the scaling forms. In other words, our data are in consistence with the established numerical values for the critical exponents, including the confluent exponent, in the O(3) universality class. Convincing numerical evidence is provided to support this proposed scenario.
Puzzled by the indication of a new critical theory for the spin-1/2 Heisenberg model with a spatially staggered anisotropy on the square lattice as suggested in \cite{Wenzel08}, we re-investigate the phase transition of this model induced by dimerization. We focus on studying the finite-size scaling of the observables ρs1Lρ_{s1} Lρs1​L and ρs2Lρ_{s2} Lρs2​L, where LLL stands for the spatial box sizes used in the simulations and ρsiρ_{si}ρsi​ with i∈{1,2}i \in \{1,2\}i∈{1,2} is the spin-stiffness in iii-direction. We find by performing finite-size scaling using the observable ρs2Lρ_{s2} Lρs2​L, which corresponds to the spatial direction with a fixed antiferromagnetic coupling, one would suffer a much less severe correction compared to that of using ρs1Lρ_{s1} Lρs1​L. Therefore ρs2Lρ_{s2} Lρs2​L is a better quantity than ρs1Lρ_{s1} Lρs1​L for finite-size scaling analysis concerning the limitation for the availability of large volumes data in our study. Remarkably, by employing the method of fixing the aspect-ratio of spatial winding numbers squared in the simulations, even from ρs1Lρ_{s1} Lρs1​L which receives the most serious correction among the observables considered in this study, we arrive at a value for the critical exponent ννν which is consistent with the expected O(3) value by using only up to L=64L = 64L=64 data points.
We formulate a cluster Monte Carlo method for the anisotropic limit of Ising models on (d+1)-dimensional lattices, which in effect, are equivalent with d-dimensional quantum transverse Ising models. Using this technique, we investigate the transverse Ising models on the square, triangular, Kagome, honeycomb, and simple-cubic lattices. The Monte Carlo data are analyzed by finite-size scaling. In each case we find, as expected, that the critical behavior fits well in the (d+1)-dimensional Ising universality class. For the transverse Ising model on the square lattice, we determine the Binder cumulant of the classical counterpart for a range of aspect ratios between the system sizes in the third or "classical" direction and that in the other two directions. Matching this universal function with the case of the isotropic Ising model yields the length ratio relating the isotropic Ising model with the anisotropic limit. The efficiency of the present algorithm is reflected by the precision of its results, which improves significantly on earlier analyses.