The Kitaev model is an exactly solvable model that exhibits a quantum spin liquid as its ground state. While this model was originally proposed as an S = 1 / 2 spin model on a honeycomb lattice, extensions to higher-spin systems have recently attracted attention. In contrast to the S = 1 / 2 case, such higher- S models are not exactly solvable and remain poorly understood, particularly for spin excitations at finite temperatures. Here, we focus on the S = 1 Kitaev model, which has been proposed to host bosonic quasiparticles. We investigate this model using Schwinger boson mean-field theory, where bosonic spinons are introduced as fractional quasiparticles by extending bond operators to address anisotropic spin interactions. We determine the mean-field parameters that realize a quantum spin liquid in both ferromagnetic and antiferromagnetic Kitaev models. Based on this mean-field ansatz, we calculate the dynamical and equal-time spin structure factors. We find that, when one uses the conventional decoupling scheme based on Wick decoupling with respect to spinons to calculate spin correlations, the resultant spin structure factors exhibit a momentum dependence that is not consistent with the sign structure expected from the exchange interaction: They possess a strong spectral weight indicating ferromagnetic (antiferromagnetic) correlations in the antiferromagnetic (ferromagnetic) Kitaev model. To resolve this issue, we propose an alternative scheme for evaluating the spin correlations, which is based on decoupling with respect to the bond operators. We demonstrate that, in our scheme, this discrepancy is removed, and the momentum dependence of the spin structure factors is consistent with the sign of the exchange constant. We also calculate the temperature evolution of the dynamical spin structure factor and find that the continuum observed at zero temperature splits into two distinct structures as the temperature increases, which can be understood in terms of the bandwidth narrowing of spinons. Finally, we clarify the origin of why the two distinct decoupling schemes result in different momentum dependences of the spin structure factors and discuss their relationship to results obtained in previous studies.
A prominent feature of quantum spin liquids is fractionalization of the spin degree of freedom. Fractionalized excitations have their own dynamics in different energy scales, and hence, affect finite-temperature (
T) properties in a peculiar manner even in the paramagnetic state harboring the quantum spin liquid state. We here present a comprehensive theoretical study of the spin dynamics in a wide
T range for the Kitaev model on a honeycomb lattice, whose ground state is a quantum spin liquid. In this model, the fractionalization occurs to break up quantum spins into itinerant matter fermions and localized
Z2 fluxes, which results in two crossovers at very different
T scales. Extending the previous study for the isotropic coupling case [J. Yoshitake, J. Nasu, and Y. Motome, Phys. Rev. Lett. 117, 157203 (2016)], we calculate the dynamical spin structure factor $S(\mathbf{q},\ensuremath{\omega})$, the NMR relaxation rate
1/T1, and the magnetic susceptibility $\ensuremath{\chi}$ while changing the anisotropy in the exchange coupling constants, by using the dynamical mean-field theory based on a Majorana fermion representation. We describe the details of the methodology including the continuous-time quantum Monte Carlo method for computing dynamical spin correlations and the maximum entropy method for analytic continuation. We confirm that the combined method provides accurate results in a wide
T range including the region where the spins are fractionalized. We find that also in the anisotropic cases the system exhibits peculiar behaviors below the high-
T crossover whose temperature is comparable to the average of the exchange constants: $S(\mathbf{q},\ensuremath{\omega})$ shows an inelastic response at the energy scale of the averaged exchange constant,
1/T1 continues to grow even though the equal-time spin correlations are saturated and almost
T independent, and $\ensuremath{\chi}$ deviates from the Curie-Weiss behavior. In particular, when the exchange interaction in one direction is stronger than the other two, the dynamical quantities exhibit qualitatively different
T dependences from the isotropic case at low
T, reflecting the opposite parity between the flux-free ground state and the flux-excited state, and a larger energy cost for flipping a spin in the strong interaction direction. On the other hand, when the exchange anisotropy is in the opposite way, the results are qualitatively similar to those in the isotropic case. All these behaviors manifest the spin fractionalization in the paramagnetic region. Among them, the dichotomy between the static and dynamical spin correlations is unusual behavior hardly seen in conventional magnets. We discuss the relation between the dichotomy and the spatial configuration of the
Z2 gauge fields. Our results could stimulate further experimental and theoretical analyses of candidate materials for the Kitaev quantum spin liquids.
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 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 fluxes, including the unconventional phase transition caused by
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 fluxes that behave very differently between two and three dimensions.
The Kitaev model, renowned for its exact solvability and potential to host non-Abelian anyons, remains a focal point in the study of quantum spin liquids and topological phases. While much of the existing literature has employed Majorana fermion techniques to analyze the model, particularly at zero temperature, its finite-temperature behavior has been less thoroughly explored via alternative methods. In this paper, we investigate the finite-temperature properties of the Kitaev model using the spin Green's function formalism. This approach provides a unified framework for computing key physical quantities, such as spin correlations, magnetic susceptibility, and the dynamical spin structure factor, offering valuable insights into the system's thermal dynamics. To solve the equation of motion for the spin Green's function, we truncate the hierarchy of multispin Green's functions using the Tyablikov decoupling approximation, which is particularly accurate at high temperatures. Our results show several similarities with Majorana-based numerical simulations, though notable differences emerge. Specifically, both static and dynamical spin-spin correlation functions capture not only
Z2 flux excitations but also simple spin-flip excitations, with the latter dominating the response. Additionally, without explicitly assuming fractionalization, our results for the spin susceptibility and spin relaxation rate suggest the presence of fermionic degrees of freedom at low temperatures. Unlike Majorana-based approaches, which rely on exact solvability and are inherently limited to the pure Kitaev model, the spin Green's function formalism is well-suited for studying more realistic systems. It can naturally incorporate the effects of magnetic fields, including linear-order terms, and non-Kitaev interactions, making it applicable to a broader range of materials and experimental conditions. By providing an alternative method for analyzing the finite-temperature properties of the Kitaev model, this study complements existing approaches and lays the groundwork for future investigations into real materials and extended models.
We determine the phase diagrams of anisotropic Kitaev-Heisenberg models on the honeycomb lattice using parton mean-field theories based on different Majorana fermion representations of the S=1/2 spin operators. First, we use a two-dimensional Jordan-Wigner transformation (JWT) involving a semi-infinite snake string operator. To ensure that the fermionized Hamiltonian remains local, we consider the limit of extreme Ising exchange anisotropy in the Heisenberg sector. Second, we use the conventional Kitaev representation in terms of four Majorana fermions subject to local constraints, which we enforce through Lagrange multipliers. For both representations, we self-consistently decouple the interaction terms in the bond and magnetization channels and determine the phase diagrams as a function of the anisotropy of the Kitaev couplings and the relative strength of the Ising exchange. While both mean-field theories produce identical phase boundaries for the topological phase transition between the gapless and gapped Kitaev quantum spin liquids, the JWT fails to correctly describe the magnetic instability and finite-temperature behavior. Our results show that the magnetic phase transition is first order at low temperatures but becomes continuous above a certain temperature. At this energy scale, we also observe a finite-temperature crossover on the quantum-spin-liquid side, from a fractionalized paramagnet at low temperatures, in which gapped flux excitations are frozen out, to a conventional paramagnet at high temperatures. Published by the American Physical Society 2024
Motivated by the appearance of Majorana fermions in a broad range of correlated and topological electronic systems, we develop a general method to compute the dynamical response of interacting Majorana fermions in the random-phase approximation (RPA). This can be applied self-consistently on top of Majorana mean-field theory backgrounds, thereby in particular providing a powerful tool to analyze behavior in the vicinity of (various heavily studied) exactly soluble models. Prime examples are quantum spin liquids (QSL) with emergent Majorana excitations, with the celebrated exact solution of Kitaev. We employ the RPA to study in considerable detail phase structure and dynamics of the extended Kitaev honeycomb K J Γ model, with and without an applied field. First, we benchmark our method with Kitaev's exactly soluble model, finding a remarkable agreement. The interactions between Majorana fermions even turn out to mimic the effect of local Z 2 flux excitations, which we explain analytically. Second, we show how small non-Kitaev couplings J and Γ induce Majorana bound states, resulting in sharp features in the dynamical structure factor in the presence of fractionalization: such “spinon excitons” naturally appear, and can coexist and interact with the broad Majorana continuum. Third, for increasing couplings or field, our theory predicts instabilities of the Kitaev QSL (KQSL) triggered by the condensation of the sharp modes. From the high-symmetry momenta of the condensation we can deduce which magnetically ordered phases surround the KQSL, in good agreement with previous finite-size numerics. We discuss implications for experiments and the broad range of applicability of our method to other QSL and Majorana systems.