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arXiv:2410.21389 · npj Quantum Materials

Microscopic roadmap to a Kitaev-Yao-Lee spin-orbital liquid

Derek Churchill, Emily Z. Zhang, Hae‐Young Kee

Published Mar 1, 2025• 12 citations
arXivHTMLPDF

Abstract

The exactly solvable spin-1/2 Kitaev model on a honeycomb lattice has drawn significant interest, as it offers a pathway to realizing the long-sought-after quantum spin liquid. Building upon the Kitaev model, Yao and Lee introduced another exactly solvable model on an unusual star lattice featuring non-abelian spinons. The additional pseudospin degrees of freedom in this model could provide greater stability against perturbations, making this model appealing. However, a mechanism to realize such an interaction in a standard honeycomb lattice remains unknown. Here, we provide a microscopic theory to obtain the Yao-Lee model, on a honeycomb lattice by utilizing strong spin-orbit coupling of anions edge-shared between two e g ions in the exchange processes. This mechanism leads to the desired bond-dependent interaction among spins rather than orbitals, unique to our model, implying that the orbitals fractionalize into gapless Majorana fermions and fermionic octupolar excitations emerge. Since the conventional Kugel-Khomskii interaction also appears, we examine the phase diagram, including these interactions, using classical Monte Carlo simulations and exact diagonalization techniques. Our findings reveal a broad region of disordered states that break rotational symmetry in the bond energy, suggesting intriguing behavior reminiscent of a spin-orbital liquid.

DOI
10.1038/s41535-025-00744-9

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The exactly solvable spin-1/2 Kitaev model on a honeycomb lattice has drawn significant interest, as it offers a pathway to realizing the long-sought-after quantum spin liquid. Building upon the Kitaev model, Yao and Lee introduced another exactly solvable model on an unusual star lattice featuring non-abelian spinons. The additional pseudospin degrees of freedom in this model could provide greater stability against perturbations, making this model appealing. However, a mechanism to realize such an interaction in a standard honeycomb lattice remains unknown. Here, we provide a microscopic theory to obtain the Yao-Lee model, on a honeycomb lattice by utilizing strong spin-orbit coupling of anions edge-shared between two e g ions in the exchange processes. This mechanism leads to the desired bond-dependent interaction among spins rather than orbitals, unique to our model, implying that the orbitals fractionalize into gapless Majorana fermions and fermionic octupolar excitations emerge. Since the conventional Kugel-Khomskii interaction also appears, we examine the phase diagram, including these interactions, using classical Monte Carlo simulations and exact diagonalization techniques. Our findings reveal a broad region of disordered states that break rotational symmetry in the bond energy, suggesting intriguing behavior reminiscent of a spin-orbital liquid.
We study an exactly solvable model with bond-directional quadrupolar and octupolar interactions between spin-orbital entangled jeff=32{j}_{\mathrm{eff}}=\frac{3}{2}jeff​=23​ moments on the honeycomb lattice. We show that this model features a multipolar spin liquid phase with gapless fermionic excitations. In the presence of perturbations that break time-reversal and rotation symmetries, we find Abelian and non-Abelian topological phases in which the Chern number evaluates to 0, $\ifmmode\pm\else\textpm\fi{}1$, and $\ifmmode\pm\else\textpm\fi{}2$. We also investigate quantum phase transitions out of the multipolar spin liquid using a parton mean-field approach and orbital wave theory. In the regime of strong integrability-breaking interactions, the multipolar spin liquid gives way to ferroquadrupolar-vortex and antiferro-octupolar ordered phases that harbor a hidden spin-12\frac{1}{2}21​ Kitaev spin liquid. Our work unveils mechanisms for unusual multipolar orders and quantum spin liquids in Mott insulators with strong spin-orbit coupling.
Spin-orbital generalization of Kitaev model provides a robust extension to the original Kitaev model. However, real materials often exhibit competing interactions that break exact solvability which can give rise to new phases. Motivated by recent microscopic proposals of coexisting Yao-Lee and Kitaev couplings, we investigate the fate of the ground state when two independent exactly solvable spin liquid Hamiltonians each originally formulated on different lattice geometries are combined on a common lattice environment. We first focus on the hybrid Kitaev's honeycomb and square-lattice model. Using self-consistent mean-field analysis and perturbative calculation, we show that the strong-Kitaev regime yields magnetic order in the spin sector, while the orbital sector retains its topological order. We further analyze the hybridization of the Yao-Lee and square-lattice models and find that the model exhibits a rich evolution of Majorana Dirac bands and Lifshitz transitions. Remarkably, when the Yao-Lee and square-lattice couplings are equal and opposite, the model restores its exact solvability with a single itinerant Majorana flavor. These results demonstrate that hybrid spin liquid platforms may host various emergent phases beyond conventional exactly solvable limits.
The Yao-Lee model is an example of exactly solvable spin-orbital models that are generalizations of the original Kitaev honeycomb model with extra local orbital degrees of freedom. Similarly to the Kitaev model, both spin and orbital degrees of freedom are effectively represented using sets of three-flavored Majorana fermions. The Yao-Lee model exhibits a quantum spin liquid ground state with gapped and immobile Z2{Z}_{2}Z2​ fluxes and threefold degenerate itinerant Majorana fermions. Our work demonstrated that by introducing different time-reversal-symmetry- (TRS) breaking fields one can split the degeneracy of Majorana fermions and close the gap for some of the bands, thus changing its topology. We calculated a comprehensive topological phase diagram for the Yao-Lee model by considering various combinations of TRS-breaking fields. This investigation revealed the emergence of distinct topological regions, each separated by nodal lines, signifying an evolution in the model's topological properties. We also investigated the impact of vacancies in the system. Our findings revealed that while vacancies modify the low-energy spectrum of the model, their presence has a limited impact on the topological properties of the model, at least for small-enough concentrations.
We study the emergence of magnetic order in localized spins that interact solely through their coupling to a Kitaev-type spin liquid. Using three toy models – the Kitaev model, the Yao–Lee model, and a square-lattice generalization of the Kitaev model – we calculate the effective exchange Hamiltonians mediated by the fractionalized excitations of these spin liquids. This setup is analogous to a Kondo lattice model, where conduction electrons are replaced by itinerant Majorana fermions. In the Kitaev model, our results show that the lowest-order perturbation theory generates short-range interactions with modified couplings and extending to sixth order introduces longer-range interactions while preserving the quantum spin-liquid ground state . Models involving more Majorana flavors on honeycomb and square lattices exhibit more complex behavior. The honeycomb Yao–Lee model with three flavors of itinerant Majorana fermions generates long-range RKKY-type interactions, leading to antiferromagnetic order and partial gapping of the Majorana fermion spectrum. In contrast, the square-lattice model produces a combination of anisotropic short- and long-range interactions, which can give rise to either a dimerized quantum paramagnetic state or an Ising antiferromagnet, depending on the parameters. These results illustrate the rich variety of magnetic orders that can be mediated by Kitaev-type spin liquids.
In the field of quantum magnetism, the exactly solvable Kitaev honeycomb model serves as a paradigm for the fractionalization of spin degrees of freedom and the formation of [Formula: see text] quantum spin liquids. An intense experimental search has led to the discovery of a number of spin-orbit entangled Mott insulators that realize its characteristic bond-directional interactions and, in the presence of magnetic fields, exhibit no indications of long-range order. Here, we map out the complete phase diagram of the Kitaev model in tilted magnetic fields and report the emergence of a distinct gapless quantum spin liquid at intermediate field strengths. Analyzing a number of static, dynamical, and finite temperature quantities using numerical exact diagonalization techniques, we find strong evidence that this phase exhibits gapless fermions coupled to a massless U(1) gauge field. We discuss its stability in the presence of perturbations that naturally arise in spin-orbit entangled candidate materials.
The nonintegrable higher spin Kitaev honeycomb model has an exact Z_{2} gauge structure, which exclusively identifies quantum spin liquid in the half-integer spin Kitaev model. But its constraints for the integer-spin Kitaev model are much limited, and even trivially gapped insulators cannot be excluded. The physical implications of exact Z_{2} gauge structure, especially Z_{2} fluxes, in integer-spin models remain largely unexplored. In this Letter, we theoretically show that a spin-S Yao-Lee model [a spin-orbital model with SU(2) spin-rotation symmetry] possesses a topologically nontrivial quantum spin-orbital liquid ground state for any spin (both integer and half-integer spin) by constructing exact deconfined fermionic Z_{2} gauge charges. We further show that the conserved Z_{2} flux can also demonstrate the intriguing spin fractionalization phenomena in the non-Abelian topological order phase of the spin-1 Yao-Lee model. Its deconfined Z_{2} vortex excitation carries fractionalized spin-1/2 quantum number in the low-energy subspace, which is also a non-Abelian anyon. Our exact manifestation of spin fractionalization in an integer-spin model is rather rare in previous studies, and is absent in the Kitaev honeycomb model.