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arXiv:1504.06911 · Physical Review B

Magnetic three states of matter: A quantum Monte Carlo study of spin liquids

Yoshitomo Kamiya, Yasuyuki Kato, Joji Nasu, Yukitoshi Motome

Published Sep 11, 2015• 20 citations
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Abstract

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 ${Z}_{2}$ 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.

DOI
10.1103/physrevb.92.100403

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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 ${Z}_{2}$ 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.
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.
While phase transitions between magnetic analogs of three states of matter -- a long-range ordered state, paramagnet, and spin liquid -- have been extensively studied, the possibility of liquid-liquid transitions, namely, between different spin liquids, remains elusive. By introducing the Ising coupling into the honeycomb Kitaev model with bond asymmetry, we discover that the Kitaev spin liquid becomes a bond-nematic quantum paramagnet before magnetically ordered. The phase transition between the two liquid-like states with different topological nature is of first order, driven by delocalization of the Z2Z_2Z2​ gauge fluxes, and persists to a critical point at finite temperature located inside the regime where quantum spins are fractionalized. It is suggested that similar transitions may occur in other perturbed Kitaev magnets with bond asymmetry.
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.
We study the Kitaev-Heisenberg-$\mathrm{\ensuremath{\Gamma}}$ model with antiferromagnetic Kitaev exchanges in the strong anisotropic (toric code) limit to understand the phases and the intervening phase transitions between the gapped Z2{Z}_{2}Z2​ quantum spin liquid and the spin-ordered (in the Heisenberg limit) as well as paramagnetic phases (in the pseudodipolar, $\mathrm{\ensuremath{\Gamma}}$, limit). We find that the paramagnetic phase obtained in the large $\mathrm{\ensuremath{\Gamma}}$ limit has no topological entanglement entropy and is proximate to a gapless critical point of a system described by equal superposition of differently oriented stacked one-dimensional ${Z}_{2}\ifmmode\times\else\texttimes\fi{}{Z}_{2}$ symmetry protected topological phases. Using a combination of exact diagonalization calculations and field theoretic analysis we map out the phases and phase transitions to reveal the complete phase diagram as a function of the Heisenberg, the Kitaev, and the pseudodipolar interactions. Our work shows a rich plethora of unconventional phases and phase transitions and provides a comprehensive understanding of the physics of anisotropic Kitaev-Heisenberg-$\mathrm{\ensuremath{\Gamma}}$ systems along with our recent paper [Phys. Rev. B 102, 235124 (2020)] where the ferromagnetic Kitaev exchange was studied.
While phase transitions between magnetic analogs of the three states of matter-a long-range ordered state, paramagnet, and spin liquid-are extensively studied, the possibility of "liquid-liquid" transitions, namely, between different spin liquids, remains elusive. By introducing the additional Ising coupling into the honeycomb Kitaev model with bond asymmetry, we discover that the Kitaev spin liquid turns into a spin-nematic quantum paramagnet before a magnetic order is established by the Ising coupling. The quantum phase transition between the two liquid states accompanies a topological change driven by fractionalized excitations, the Z_{2} gauge fluxes, and is of first order. At finite temperatures, this yields a persisting first-order transition line that terminates at a critical point located deep inside the regime where quantum spins are fractionalized. It is suggested that similar transitions may occur in other perturbed Kitaev magnets with bond asymmetry.
The quantum spin liquid is an exotic quantum state of matter in magnets. This state is a spin analog of liquid helium that does not solidify down to the lowest temperature due to strong quantum fluctuations. In conventional fluids, the liquid and gas possess the same symmetry and adiabatically connect to each other by bypassing the critical end point. We find that the situation is qualitatively different in quantum spin liquids realized in a three-dimensional Kitaev model; both gapless and gapped quantum spin liquid phases at low temperatures are always distinguished from the high-temperature paramagnet (spin gas) by a phase transition. The results challenge the common belief that the absence of thermodynamic singularity down to the lowest temperature is a symptom of a quantum spin liquid.