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arXiv:2411.01875 · Physical review. B./Physical review. B

Static and dynamical spin correlations in the Kitaev model at finite temperatures via Green's function equation of motion

Hibiki Takegami, Takao Morinari

Published Feb 10, 2025• 1 citation
arXivHTMLPDF

Abstract

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 ${\mathbb{Z}}_{2}$ 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.

DOI
10.1103/physrevb.111.054413

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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{\mathbb{Z}}_{2}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.
The Kitaev model, defined on a honeycomb lattice, features an exactly solvable ground state with fractionalized Majorana fermion excitations, which can potentially form non-Abelian anyons crucial for fault-tolerant topological quantum computing. Although Majorana fermions are essential for obtaining the exact ground state, their physical interpretation in terms of spin operators remains unclear. In this study, we employ a Green's function approach that maintains SU(2) symmetry to address this issue and explore the model's finite temperature properties. Our results demonstrate that the computed temperature dependence of the correlation functions closely approximates the exact values at zero temperature, confirming the accuracy of our method. We also present several exact results concerning the spin Green's function and spin-spin correlation functions that are specific to the Kitaev 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 (TTT) 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 TTT 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{Z}_{2}Z2​ fluxes, which results in two crossovers at very different TTT 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/T11/{T}_{1}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 TTT 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-TTT 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/T11/{T}_{1}1/T1​ continues to grow even though the equal-time spin correlations are saturated and almost TTT 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 TTT dependences from the isotropic case at low TTT, 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{Z}_{2}Z2​ gauge fields. Our results could stimulate further experimental and theoretical analyses of candidate materials for the Kitaev quantum spin liquids.
The S=1/2S=1/2S=1/2 Kitaev model provides an exactly solvable setting in which spin fractionalization produces itinerant Majorana fermions coupled to an emergent Z2\mathbb{Z}_2Z2​ gauge field. In realistic Kitaev magnets, however, non-Kitaev interactions break integrability and make their finite-temperature dynamics difficult to calculate. We develop a finite-temperature parton mean-field theory based on the Abrikosov-fermion representation and incorporate the effects of exchange interactions through the random phase approximation to calculate the dynamical spin structure factor. For the pure Kitaev model, the method reproduces a strong, nearly dispersionless peak at a finite low energy together with a broad continuum at higher energies. It also reproduces the momentum dependence of the dynamical spin structure factor and its temperature evolution, including the downward shift of the low-energy spectral weight, in qualitative agreement with continuous-time quantum Monte Carlo calculations. Within the present theory, the contraction of the continuum is traced to the temperature-induced reduction of the bond amplitudes, which narrows the parton bands and compresses the two-parton phase space. For ferromagnetic Kitaev coupling, the energy of the low-energy peak is minimized at the ΓΓΓ point for a ferromagnetic Heisenberg interaction and maximized there for an antiferromagnetic interaction. In the ferromagnetic Kitaev-ΓΓΓ model, the static response develops a finite-momentum softening, indicating an instability toward the period-three magnetic order reported in numerical studies. For uniform-ferromagnetic states selected by a [111][111][111] magnetic field, we find that a broad parton continuum coexists with magnonlike dispersive structures, producing spectral features consistent with a spinon-to-magnon crossover.
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.
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.
We present certain exact analytical results for dynamical spin correlation functions in the Kitaev Model. It is the first result of its kind in nontrivial quantum spin models. The result is also novel: in spite of the presence of gapless propagating Majorana fermion excitations, dynamical two spin correlation functions are identically zero beyond nearest neighbor separation. This shows existence of a gapless but short range spin liquid. An unusual, all energy scale fractionalization of a spin-flip quanta, into two infinitely massive pi fluxes and a dynamical Majorana fermion, is shown to occur. As the Kitaev Model exemplifies topological quantum computation, our result presents new insights into qubit dynamics and generation of topological excitations.