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arXiv:1707.02794 · Physical review. B./Physical review. B

Chiral spin liquids at finite temperature in a three-dimensional Kitaev model

Yasuyuki Kato, Yoshitomo Kamiya, Joji Nasu, Yukitoshi Motome

Published Nov 7, 2017• 11 citations
arXivHTMLPDF

Abstract

Chiral spin liquids (CSLs) in three dimensions and thermal phase transitions to paramagnet are studied by unbiased Monte Carlo simulations. For an extension of the Kitaev model to a three-dimensional tricoordinate network dubbed the hypernonagon lattice, we derive low-energy effective models in two different anisotropic limits. We show that the effective interactions between the emergent ${Z}_{2}$ degrees of freedom called fluxes are unfrustrated in one limit, while highly frustrated in the other. In both cases, we find a first-order phase transition to the CSL, where both time-reversal and parity symmetries are spontaneously broken. In the frustrated case, however, the CSL state is highly exotic---the flux configuration is subextensively degenerate while showing a directional order with broken ${C}_{3}$ rotational symmetry. Our results provide two contrasting archetypes of CSLs in three dimensions, both of which allow approximation-free simulation for investigating the thermodynamics.

DOI
10.1103/physrevb.96.174409

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Chiral spin liquids (CSLs) in three dimensions and thermal phase transitions to paramagnet are studied by unbiased Monte Carlo simulations. For an extension of the Kitaev model to a three-dimensional tricoordinate network dubbed the hypernonagon lattice, we derive low-energy effective models in two different anisotropic limits. We show that the effective interactions between the emergent Z2{Z}_{2}Z2​ degrees of freedom called fluxes are unfrustrated in one limit, while highly frustrated in the other. In both cases, we find a first-order phase transition to the CSL, where both time-reversal and parity symmetries are spontaneously broken. In the frustrated case, however, the CSL state is highly exotic---the flux configuration is subextensively degenerate while showing a directional order with broken C3{C}_{3}C3​ rotational symmetry. Our results provide two contrasting archetypes of CSLs in three dimensions, both of which allow approximation-free simulation for investigating the thermodynamics.
Chiral spin liquids (CSLs) are exceptional magnetic states that break time-reversal symmetry without long-range magnetic ordering. Here, the authors showcase a family of CSLs in a three-dimensional extension of the Kitaev model on the hypernonagon lattice, using quantum Monte Carlo simulations supplemented by variational calculations. Notably, all the CSLs are found to not only break time-reversal symmetry but concurrently also a number of lattice symmetries by forming a crystalline ordering of the underlying \ensuremath{\mathbb{Z}}2{}_{2}2​ gauge structure. It is further shown that some of the CSLs exhibit topological features with gapless Majorana modes.
In the field of frustrated magnetism, Kitaev models provide prototypical examples of exactly solvable quantum spin liquids, in which the spin degrees of freedom fractionalize into Majorana fermions coupled to an emergent Z2 gauge field. While the ground states of these models are already well understood as exhibiting different kinds of Majorana (semi)metals, it has still been an open task to achieve a detailed understanding of the thermodynamics, and, namely, the low-temperature ordering of the gauge field into different Z2 flux configurations. In this thesis, we investigate the thermodynamics of Kitaev systems in two and three spatial dimensions with sign-problem-free quantum Monte Carlo simulations. In a first study of elementary 3D Kitaev models, we verify that the ground state Z2 flux sectors of these systems are entirely determined by their elementary plaquette length – a result which shows the validity of Lieb’s theorem for lattice geometries which lack the geometric requirements for its proof. We closely investigate the low-temperature phase transition associated with gauge-ordering, which is a particular realization of an inverted Ising phase transition, as it occurs in general lattice Z2 gauge theories. Our results corroborate the understanding of this transition as separating different regimes in terms of vison-loop excitations, by showing a clear correlation between the critical temperature and the vison gap. We also introduce the concept of “gauge frustration”, which, for a particular 3D Kitaev model, leads to the suppression of the phase transition and a more complex physical behavior at low temperatures. A second quantum Monte Carlo study focuses on a generalized 2D Kitaev model on a five-coordinated lattice system. Here, the gauge ordering is accompanied by the spontaneous breaking of time-reversal symmetry, a scenario which not only allows for a variety of topological ground states, but also for the occurrence of a phase transition in two spatial dimensions. We show that this model exhibits such a transition at a particularly high temperature scale. Moreover, the system possesses a number of phases where the Z2 fluxes are only partially ordered.
An effective model in the isolated dimer limit of the Kitaev-type model on a decorated honeycomb lattice is investigated at finite temperature. The ground state of this model is exactly shown to be a chiral spin liquid with spontaneous breaking of time reversal symmetry. We elab- orate the finite-temperature phase diagram by using the mean-field approximation and Monte Carlo simulation. We find that the phase transition between the high-temperature paramagnetic phase and the low-temperature chiral spin liquid phase is always of second order in the Monte Carlo results, although a tricritical point appears in the mean-field phase diagram. The finite-size scaling analysis of the Monte Carlo data suggests that the phase transition belongs to the two-dimensional Ising universality class.
The quantum spin liquid is an enigmatic quantum state in insulating magnets, in which conventional long-range order is suppressed by strong quantum fluctuations. Recently, an unconventional phase transition was reported between the low-temperature quantum spin liquid and the high-temperature paramagnet in the Kitaev model on a three-dimensional hyperhoneycomb lattice. Here, we show that a similar ``liquid-gas'' transition takes place in another three-dimensional lattice, the hyperoctagon lattice. We investigate the critical phenomena by adopting the Green-function based Monte Carlo technique with the kernel polynomial method, which enables systematic analysis of up to 2048 sites. The critical temperature is lower than that in the hyperhoneycomb case, reflecting the smaller flux gap. We also discuss the transition on the basis of an effective model in the anisotropic limit.
The long-sought quantum spin liquid is a quantum-entangled magnetic state leading to the fractionalization of spin degrees of freedom. Quasiparticles emergent from the fractionalization affect not only the ground-state properties but also thermodynamic behavior in a peculiar manner. Here we investigate how the spin dynamics evolves from the high-temperature paramagnet to the quantum spin-liquid ground state, for the Kitaev spin model describing the fractionalization into itinerant matter fermions and localized Z2{Z}_{2}Z2​ fluxes. Beyond the previous studies [J. Yoshitake, J. Nasu, and Y. Motome, Phys. Rev. Lett. 117, 157203 (2016); J. Yoshitake, J. Nasu, Y. Kato, and Y. Motome, Phys. Rev. B 96, 024438 (2017)], in which the mean-field nature of the cluster dynamical mean-field theory prevented us from studying low-temperature properties, we develop a numerical technique by applying the continuous-time quantum Monte Carlo (CTQMC) method to statistical samples generated by the quantum Monte Carlo (QMC) method in a Majorana fermion representation. This QMC+CTQMC method is fully unbiased and enables us to investigate the low-temperature spin dynamics dominated by thermally excited Z2{Z}_{2}Z2​ fluxes, including the unconventional phase transition caused by Z2{Z}_{2}Z2​ flux loops in three dimensions, which was unreachable by the previous methods. We apply this technique to the Kitaev model in both two and three dimensions. Our results clearly distinguish two cases: while the dynamics changes smoothly through the crossover in the two-dimensional honeycomb case, it exhibits singular behaviors at the phase transition in the three-dimensional hyperhoneycomb case. We show that the low-temperature spin dynamics is a sensitive probe for thermally fluctuating Z2{Z}_{2}Z2​ fluxes that behave very differently between two and three dimensions.
We present thermodynamic phase diagrams showing magnetic analog of ``three states of matter,'' namely, spin liquid, paramagnetic, and magnetically ordered phases, obtained by unbiased quantum Monte Carlo simulations. Our simulations are carried out for Kitaev's toric codes in two and three dimensions, i.e., the simplest realizations of gapped topological Z2{Z}_{2}Z2​ spin liquids, extended by a nearest-neighbor ferromagnetic Ising coupling. We find that the ordered phase borders on the spin liquid by a discontinuous transition line in three dimensions, while it grows continuously from the quantum critical point in two dimensions. In both cases, our results elucidate peculiar proximity effects to the nearby spin liquids in the high-temperature paramagnetic phase, even when the ground state is magnetically ordered. The thorough study of magnetic three states of matter is achieved by introducing the ``fictitious vertex'' method into the directed loop algorithm. This provides a generic prescription to simulate models with off-diagonal multispin interactions, in which the conventional scheme may suffer from intrinsic ergodicity breakdown as in the present case.