The Kitaev quantum spin liquid provides an ideal playground for the spin fractionalization to Majorana and vison excitations. The fingerprints manifest themselves in spin dynamics, which are accessible via many experimental techniques. However, extrinsic disorder effects are inevitable in real materials. Here, the authors compute finite-temperature spin dynamics in disordered Kitaev spin liquids and clarify that disorder seriously affects the vison excitations rather than Majorana quasiparticles. Furthermore, the softening of the vison excitations and Majorana zero modes emerge due to disorder, which will help identify Kitaev magnets.
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 study the effect of site dilution in the Kitaev model. We derive an analytical solution of the dynamical spin correlation functions for arbitrary configurations of
Z2 fluxes. By incorporating this solution into a classical Monte Carlo scheme, we address how a site vacancy affects the experimental observables, such as the static spin susceptibility and the spin-lattice relaxation rate,
1/T1. As a result, we found an enhancement of dynamical magnetic response in the vicinity of vacancy, which leads to Friedel-like oscillation in local
1/T1, in contrast to limited influences on the static susceptibility. Furthermore, we found a sharp zero-energy peak in the magnetic excitation spectrum, which is attributed to the Vison-Majorana zero mode trapped near the site vacancy. This zero mode can be interpreted as a fractionalized spin hole into an Ising triplet with differentiated magnetic axes, which leads to the characteristic temperature and field-orientational dependence of
1/T1.
Experimental identification of quantum spin liquids remains a challenge, as the pristine nature is to be seen in asymptotically low temperatures. We here theoretically show that the precursor of quantum spin liquids appears in the spin dynamics in the paramagnetic state over a wide temperature range. Using the cluster dynamical mean-field theory and the continuous-time quantum Monte Carlo method, which are newly developed in the Majorana fermion representation, we calculate the dynamical spin structure factor, relaxation rate in nuclear magnetic resonance, and magnetic susceptibility for the honeycomb Kitaev model whose ground state is a canonical example of the quantum spin liquid. We find that dynamical spin correlations show peculiar temperature and frequency dependence even below the temperature where static correlations saturate. The results provide the experimentally accessible symptoms of the fluctuating fractionalized spins evincing the quantum spin liquids.
We study the spin-
S Kitaev model in the classical ($S\ensuremath{\rightarrow}\ensuremath{\infty}$) limit using Monte Carlo simulations combined with semiclassical spin dynamics. We discuss differences and similarities in the dynamical structure factors of the spin-
1/2 and the classical Kitaev liquids. The quantum behavior is restricted to low temperatures where a gap protects visons from decohering the system. Once this quantum gap is breached, at low temperatures compared to the coupling constant, significant entropic disorder decoheres the Majorana fermions and the system is described quantitatively by classical dynamics. The low-temperature and low-energy spectrum of the classical model exhibits a finite-energy peak, which is the precursor of the one produced by the Majorana modes of the
S=1/2 model. The classical peak is spectrally narrowed compared to the quantum result and can be explained by magnon excitations within fluctuating one-dimensional manifolds (loops). Hence the difference from the classical limit to the quantum limit can be understood by the fractionalization of magnons propagating in one-dimensional manifolds. Moreover, we show that the momentum-space distribution of the low-energy spectral weight of the
S=1/2 model follows the momentum-space distribution of zero modes of the classical model.
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.