We use a recently developed interpretable and unsupervised machine-learning method, the tensorial kernel support vector machine (TK-SVM), to investigate the low-temperature classical phase diagram of a generalized Heisenberg-Kitaev-$Γ$ ($J$-$K$-$Γ$) model on a honeycomb lattice. Aside from reproducing phases reported by previous quantum and classical studies, our machine finds a hitherto missed nested zigzag-stripy order and establishes the robustness of a recently identified modulated $S_3 \times Z_3$ phase, which emerges through the competition between the Kitaev and $Γ$ spin liquids, against Heisenberg interactions. The results imply that, in the restricted parameter space spanned by the three primary exchange interactions -- $J$, $K$, and $Γ$, the representative Kitaev material $α$-${\rm RuCl}_3$ lies close to the boundaries of several phases, including a simple ferromagnet, the unconventional $S_3 \times Z_3$ and nested zigzag-stripy magnets. A zigzag order is stabilized by a finite $Γ^{\prime}$ and/or $J_3$ term, whereas the four magnetic orders may compete in particular if $Γ^{\prime}$ is anti-ferromagnetic.
Motivated by recent terahertz absorption measurements in $α$-RuCl$_3$, we develop a theory for the electromagnetic absorption of materials described by the Kitaev model on the honeycomb lattice. We derive a mechanism for the polarization operator at second order in the nearest-neighbor hopping Hamiltonian. Using the exact results of the Kitaev honeycomb model, we then calculate the polarization dynamical correlation function corresponding to electric dipole transitions, in addition to the spin dynamical correlation function corresponding to magnetic dipole transitions.
We introduce an extension of the Kitaev honeycomb model by including four-spin interactions that preserve the local gauge structure and hence the integrability of the original model. The extended model has a rich phase diagram containing five distinct vison crystals, as well as a symmetric $π$-flux spin liquid with a Fermi surface of Majorana fermions and a sequence of Lifshitz transitions. We discuss possible experimental signatures and, in particular, present finite-temperature Monte Carlo calculations of the specific heat and the static vison structure factor. We argue that our extended mod…
Kitaev's sixteenfold way is a classification of exotic topological orders in which $\mathbb{Z}_2$ gauge theory is coupled to Majorana fermions of Chern number $C$. The $16$ distinct topological orders within this class, depending on $C \, \mathrm{mod} \, 16$, possess a rich variety of Abelian and non-Abelian anyons. We realize more than half of Kitaev's sixteenfold way, corresponding to Chern numbers $0$, $\pm 1$, $\pm 2$, $\pm 3$, $\pm 4$, and $\pm 8$, in an exactly solvable generalization of the Kitaev honeycomb model. For each topological order, we explicitly identify the anyonic excitation…
The magnetic insulator $α$-RuCl$_{3}$ is a promising candidate to realize Kitaev interactions on a quasi-2D honeycomb lattice. We perform extensive susceptibility measurements on single crystals of $α$-RuCl$_{3}$, including angle-dependence of the in-plane longitudinal and transverse susceptibilities, which reveal a unidirectional anisotropy within the honeycomb plane. By comparing the experimental results to a high-temperature expansion of a Kitaev-Heisenberg-$Γ$ spin Hamiltonian with bond anisotropy, we find excellent agreement with the observed phase shift and periodicity of the angle-resol…
In this work, we investigate whether the Kitaev honeycomb model can serve as a starting point to realize the intriguing physics of the Sachdev-Ye-Kitaev (SYK) model. The starting point is to strain the system, which leads to flat bands reminiscent of Landau levels, thereby quenching the kinetic energy. The presence of weak residual perturbations, such as Heisenberg interactions and the $γ$-term, creates effective interactions between the Majorana modes when projected into the flux-free sector. We assume the resulting interactions to be effectively random. This leads to a bipartite Sachdev-Ye-K…
A range of honeycomb-lattice compounds has been proposed and investigated in the search for a topological Kitaev spin liquid. However, sizable Heisenberg interactions and additional symmetry-allowed exchange anisotropies in the magnetic Hamiltonian of these potential Kitaev materials push them away from the pure Kitaev spin-liquid state. Particularly the Kitaev-to-Heisenberg coupling ratio is essential in this respect. With the help of advanced quantum-chemistry methods, we explore how the magnetic coupling ratios depend on pressure in several honeycomb compounds (Na$_2$IrO$_3$, $β$-Li$_2$IrO$…
Motivated by the recent surge of field-driven phenomena discussed for Kitaev materials, in particular the experimental observation of a finite thermal Hall effect and theoretical proposals for the emergence of additional spin liquid phases beyond the conventional Kitaev spin liquid, we develop a theoretical understanding of the thermal Hall effect in honeycomb Kitaev materials in magnetic fields. Our focus is on gapless U(1) spin liquids with a spinon Fermi surface, which have been shown to arise as field-induced phases. We demonstrate that in the presence of symmetry-allowed, second-neighbor …
The Kitaev honeycomb model hosts a fascinating fractionalized state of matter featuring emergent Majorana fermions and a vison particle that carries the flux of an emergent gauge field. In the exactly solvable model these visons are static but certain perturbations can induce their motion. We show that the nature of the vison motion induced by a Zeeman field is sharply distinct in the ferromagnetic vs the antiferromagnetic Kitaev models. Namely, in the ferromagnetic model the vison has a trivial non-projective translational symmetry, whereas in the antiferromagnetic Kitaev model it has a proje…
We study numerically a bosonic analog of the Kitaev honeycomb model, which is a minimal model for $4d^4/5d^4$ quantum magnets with honeycomb lattice geometry. We construct its phase diagram by a combination of Landau theory analysis and quantum Monte Carlo simulations. In particular, we show that the phase boundaries between the paramagnetic state and magnetically ordered states are generically fluctuation-induced first order phase transitions. Our results are potentially applicable to Ru$^{4+}$- and Ir$^{5+}$-based honeycomb magnets.
Recent theoretical studies have suggested that Kitaev physics and such effects as formation of a mysterious spin-liquid state can be expected not only in RuCl3 and iridates, but also in conventional $3d$ transition metal compounds. Using DC and AC magnetometry, thermodynamic and $^{23}$Na nuclear magnetic resonance measurements (NMR) we studied such a candidate material Na3Co2SbO6. A full phase diagram of Na3Co2SbO6 in a wide range of magnetic fields and temperatures is presented. The results demonstrate transformation of the antiferromagnetic structure under the external magnetic field, gradu…
We study the effects of static magnetic and electric fields on Kitaev's honeycomb model. Using the electric polarization operator appropriate for Kitaev materials, we derive the effective Hamiltonian for the emergent Majorana fermions to second-order in both the electric and magnetic fields. We find that while individually each perturbation does not qualitatively alter Kitaev spin liquid, the cross-term induces a finite chemical potential at each Dirac node, giving rise to a Majorana-Fermi surface. We argue this gapless phase is stable and exhibits typical metallic phenomenology, such as linea…
We calculate the resonant inelastic X-ray scattering (RIXS) response of the Kitaev honeycomb model, an exactly solvable quantum-spin-liquid model with fractionalized Majorana and flux excitations. We find that the fundamental RIXS channels, the spin-conserving (SC) and the non-spin-conserving (NSC) ones, do not interfere and give completely different responses. SC-RIXS picks up exclusively the Majorana sector with a pronounced momentum dispersion, whereas NSC-RIXS also creates immobile fluxes, thereby rendering the response only weakly momentum dependent, as in the spin structure factor measur…
The honeycomb lattice Kitaev model H_{K} with two kinds of Wen-Toric-code four-body interactions H_{WT} is investigated exactly using a new fermionization method, and the ground state phase diagram is obtained. Six kinds of three-body interactions are also considered. A Hamiltonian equivalent to the honeycomb lattice Kitaev model is also introduced. The fermionization method is generalized to two-dimensional systems, and the two-dimensional Jordan-Wigner transformation is obtained as a special case of this formula. The model H_{K}+H_{WT} is symmetric in four-dimensional space of coupling const…
We study the effect of a half wave rectified sinusoidal electromagnetic (EM) wave on the Kitaev honeycomb model with an additional magneto-electric coupling term {arising due to induced polarization of the bonds. Within the framework of Floquet analysis, we show that merging of a pair of Dirac points in the gapless region of the Kitaev model leading to a semi-Dirac spectrum is indeed possible} by externally varying the amplitude and the phase of the EM field.
The Kitaev spin liquid, a ground state of the bond-dependent Kitaev model in a honeycomb lattice has been a centre of attraction, since a microscopic theory to realize such an interaction in solid-state materials was discovered. A challenge in real materials though is the presence of the Heisenberg and another bond-dependent Gamma interactions detrimental to the Kitaev spin liquid, and there have been many debates on their relative strengths. Here we offer a strategy to extract the Kitaev interaction out of a full microscopic model by utilizing the symmetries of the Hamiltonian. Two tilted mag…
The Kitaev-Heisenberg model defined on both honeycomb and triangular lattices has been studied intensively in recent years as a possible model to describe spin-orbital physics in iridium oxides. In the model, there are many phases characteristic for each lattice. However, there is no study how the phases in the two lattices merge each other when geometry changes from honeycomb lattice to triangular lattice. We investigate the ground state of the Kitaev-Heisenberg model defined on the system connecting the honeycomb and triangular lattices, named a honeycomb-triangular lattice. We obtain a grou…
The properties of Kitaev materials are attracting ever increasing attention owing to their exotic properties. In realistic two-dimensional materials, Kitaev interaction is often accompanied by the Dzyloshinskii-Moriya interaction, which poses a challenge of distinguishing their magnitude separately. In this work, we demonstrate that it can be done by accessing magnonic transport properties. By studying honeycomb ferromagnets exhibiting Dzyaloshinskii-Moriya and Kitaev interactions simultaneously, we reveal non-trivial magnonic topological properties accompanied by intricate magnonic transport …
In addition to the Kitaev ($K$) interaction, candidate Kitaev materials also possess Heisenberg ($J$) and off-diagonal symmetric ($Γ$) couplings. We investigate the quantum ($S = 1/2$) $K$-$J$-$Γ$ model on the honeycomb lattice by a variational Monte Carlo (VMC) method. In addition to the "generic" Kitaev spin liquid (KSL), we find that there is just one proximate KSL (PKSL) phase, while the rest of the phase diagram contains different magnetically ordered states. The PKSL is a gapless Z$_2$ state with 14 Majorana cones, which in contrast to the KSL has a gapless spin response. In a magnetic f…
Layered honeycomb magnets are of interest as potential realizations of the Kitaev quantum spin liquid (KQSL), a quantum state with long-range spin entanglement and an exactly solvable Hamiltonian. Conventional magnetically ordered states are present for all currently known candidate materials, however, because non-Kitaev terms in the Hamiltonians obscure the Kitaev physics. Current experimental studies of the KQSL are focused on 4d- or 5d-transition-metal-based honeycombs, in which strong spin-orbit coupling can be expected, yielding Kitaev interaction that dominate in an applied magnetic fiel…
Motivated by recent reports of a field-induced intermediate phase (IP) in the antiferromagnetic honeycomb Kitaev model that may be a spin liquid whose nature is distinct from the Kitaev Z2 phase, we present a detailed numerical study on the nature and dynamical response (such as dynamical spin-structure factors and resonant inelastic x-ray scattering intensities) of this field-induced IP and neighboring phases in a family of Kitaev-based models related by hidden symmetries and duality transformations. We further show that the same field-induced IP can appear in models relevant for $α$-RuCl${_3…
Recent proposals for spin-1 Kitaev materials, such as honeycomb Ni oxides with heavy elements of Bi and Sb, have shown that these compounds naturally give rise to antiferromagnetic (AFM) Kitaev couplings. Conceptual interest in such AFM Kitaev systems has been sparked by the observation of a transition to a gapless $U(1)$ spin liquid at intermediate field strengths in the AFM spin-1/2 Kitaev model. However, all hitherto known spin-1/2 Kitaev materials exhibit ferromagnetic bond-directional exchanges. Here we discuss the physics of the spin-1 Kitaev model in a magnetic field and show, by extens…
University of Toronto（多伦多大学）；Canadian Institute for Advanced Research（加拿大高等研究院）
Recently, honeycomb cobaltates with 3$d^7$ were proposed to display Kitaev physics despite weak spin-orbit coupling. However, other theoretical and experimental works found leading XXZ Heisenberg and negligible Kitaev interactions in BaCo$_2$(AsO$_4$)$_2$ (BCAO), which calls for a further study to clarify the origin of the discrepancies. Here we derive the analytical expressions of the spin model using strong-coupling perturbation theory. With tight binding parameters obtained by {\it ab-initio} calculations for idealized honeycomb BCAO, we find that the largest intraorbital $t_{2g}-t_{2g}$ ex…
The layered honeycomb magnet $α$-Li$_2$IrO$_3$ has been theoretically proposed as a candidate to display novel magnetic behaviour associated with Kitaev interactions between spin-orbit entangled $j_{\rm eff}=1/2$ magnetic moments on a honeycomb lattice. Here we report single crystal magnetic resonant x-ray diffraction combined with powder magnetic neutron diffraction to reveal an incommensurate magnetic order in the honeycomb layers with Ir magnetic moments counter-rotating on nearest-neighbour sites. This type of magnetic structure has not been reported experimentally before in honeycomb magn…
The main question we address is how to probe the fractionalized excitations of a quantum spin liquid (QSL), for example, in the Kitaev honeycomb model. By analyzing the energy spectrum and entanglement entropy, for antiferromagnetic couplings and a field along either [111] or [001], we find a gapless QSL phase sandwiched between the non-Abelian Kitaev QSL and polarized phases. Increasing the field strength towards the polarized limit destroys this intermediate QSL phase, resulting in a considerable reduction in the number of frequency modes and the emergence of a beating pattern in the local d…
Due to the combination of a substantial spin-orbit coupling and correlation effects, iridium oxides hold a prominent place in the search for novel quantum states of matter, including, e.g., Kitaev spin liquids and topological Weyl states. We establish the promise of the very recently synthesized hyper-honeycomb iridate $β$-Li2IrO3 in this regard. A detailed theoretical analysis reveals the presence of large ferromagnetic first-neighbor Kitaev interactions, while a second-neighbor antiferromagnetic Heisenberg exchange drives the ground state from ferro to zigzag order via a three-dimensional Ki…
We investigate the ground state properties of the spin S=1 Kitaev honeycomb model under a magnetic field based on the density matrix renormalization group (DMRG) calculation. With the time reversal symmetry breaking due to the magnetic field, a gapped Kitaev spin liquid is identified for both ferromagnetic (FM) and antiferromagnetic (AFM) Kitaev couplings. The topological nature of such Kitaev spin liquid is manifested by the nearly quantized Wilson loop, degeneracy in the entanglement spectra and existence of edge modes. While the FM Kitaev spin liquid is destroyed by a weaker magnetic field …
We investigate the generic features of the low energy dynamical spin structure factor of the Kitaev honeycomb quantum spin liquid perturbed away from its exact soluble limit by generic symmetry-allowed exchange couplings. We find that the spin gap persists in the Kitaev-Heisenberg model, but generally vanishes provided more generic symmetry-allowed interactions exist. We formulate the generic expansion of the spin operator in terms of fractionalized Majorana fermion operators according to the symmetry enriched topological order of the Kitaev spin liquid, described by its projective symmetry gr…
Kitaev quantum spin liquid, massively quantum entangled states, is so scarce in nature that searching for new candidate systems remains a great challenge. Honeycomb heterostructure could be a promising route to realize and utilize such an exotic quantum phase by providing additional controllability of Hamiltonian and device compatibility, respectively. Here, we provide epitaxial honeycomb oxide thin film Na3Co2SbO6, a candidate of Kitaev quantum spin liquid proposed recently. We found a spin glass and antiferromagnetic ground states depending on Na stoichiometry, signifying not only the import…
I studied the non-equilibrium response of an initial Néel state under time evolution with the Kitaev honeycomb model. With isotropic interactions ($J_x = J_y = J_z$) the system quickly loses its antiferromagnetic order and crosses over into a steady state valence bond solid, which can be inferred from the long-range dimer correlations. There is no signature of a dynamical phase transition. Upon including anisotropy ($J_x = J_y \neq J_z$), an exponentially long prethermal regime appears with persistent magnetization oscillations whose period derives from an effective toric code.
We consider the quasi-two-dimensional pseudo-spin-1/2 Kitaev - Heisenberg model proposed for A2IrO3 (A=Li, Na) compounds. The spin-wave excitation spectrum, the sublattice magnetization, and the transition temperatures are calculated in the random phase approximation (RPA) for four different ordered phases, observed in the parameter space of the model: antiferomagnetic, stripe, ferromagnetic, and zigzag phases. The Néel temperature and temperature dependence of the sublattice magnetization are compared with the experimental data on Na2IrO3.
The theoretical inception of the Kitaev honeycomb model has had defining influence on the experimental hunt for quantum spin liquids, bringing unprecedented focus onto the synthesis of materials with bond-directional interactions. Numerous Kitaev materials, which are believed to harbor ground states parametrically close to the Kitaev spin liquid, have been investigated since. Yet, in these materials the Kitaev interaction often comes hand in hand with off-diagonal $Γ$ interactions -- with the competition of the two potentially giving rise to a magnetically ordered ground state. In an attempt t…
We study the Kitaev-Heisenberg model with spin-1 local degree of freedom on a two-dimensional honeycomb lattice numerically by density matrix renormalization group method. By tuning the relative value of the Kitaev and Heisenberg exchange couplings, we obtain the whole phase diagram with two spin liquid phases and four symmetry broken phases. We identify that the spin liquid phases are gapless by calculating the central charge at the pure Kitaev points without Heisenberg interaction. Comparing to its spin-1/2 counterpart, the position and number of gapless modes of the spin-1 case are quite di…
Despite the exciting implications of the Kitaev spin-Hamiltonian, finding and confirming the quantum spin liquid state has proven incredibly difficult. Recently the applicability of the model has been expanded through the development of a microscopic description of a spin-1 Kitaev interaction. Here we explore a candidate spin-1 honeycomb system, KNiAsO$_4$ , which meets many of the proposed criteria to generate such an interaction. Bulk measurements reveal an antiferromagnetic transition at $\sim$ 19 K which is generally robust to applied magnetic fields. Neutron diffraction measurements show …
We study the ground state of the 1D Kitaev-Heisenberg (KH) model using the density-matrix renormalization group and Lanczos exact diagonalization methods. We obtain a rich ground-state phase diagram as a function of the ratio between Heisenberg ($J=\cosϕ)$ and Kitaev ($K=\sinϕ$) interactions. Depending on the ratio, the system exhibits four long-range ordered states: ferromagnetic-$z$ , ferromagnetic-$xy$, staggered-$xy$, Néel-$z$, and two liquid states: Tomonaga-Luttinger liquid and spiral-$xy$. The two Kitaev points $ϕ=\fracπ{2}$ and $ϕ=\frac{3π}{2}$ are singular. The $ϕ$-dependent phase dia…
Compounds of transition metal ions with strong spin-orbit coupling recently attracted attention due to the possibility to host frustrated bond-dependent anisotropic magnetic interactions. In general, such interactions lead to complex phase diagrams that may include exotic phases, e.g. the Kitaev spin liquid. Here we report on our comprehensive analysis of the global phase diagram of the extended Kitaev-Heisenberg model relevant to honeycomb lattice compounds Na2IrO3 and alpha-RuCl3. We have utilized recently developed method based on spin coherent states that enabled us to resolve arbitrary sp…
Motivated by recent experiments on the Kitaev honeycomb magnet $α\text{-RuCl}_3$, we introduce time-domain probes of the edge and quasiparticle content of non-Abelian spin liquids. Our scheme exploits ancillary quantum spins that communicate via time-dependent tunneling of energy into and out of the spin liquid's chiral Majorana edge state. We show that the ancillary-spin dynamics reveals the edge-state velocity and, in suitable geometries, detects individual non-Abelian anyons and emergent fermions via a time-domain counterpart of quantum-Hall anyon interferometry. We anticipate applications …
An osmium chloride with the chemical formula of OsxCl3 (x = 0.81) was synthesized and its crystal structure and thermodynamic properties were investigated. OsxCl3 crystallizes in a layered CdCl2-type structure with the triangular lattice partially occupied by Os ions on average. However, on microscopic length scales, the triangular lattice is composed of nano-domains with a honeycomb arrangement of Os ions, as observed by electron microscopy and Raman scattering experiments. Magnetization and heat capacity measurements revealed an absence of magnetic long-range order down to 0.08 K, while a br…
We theoretically propose a family of $f$-electron based magnets that realizes Kitaev-type bond-dependent anisotropic interactions. Based on {\it ab initio} calculations, we show that $A_2$PrO$_3$ ($A$: alkali metals) crystalize in a triclinic structure with honeycomb layers of edge-sharing PrO$_6$ octahedra. Each Pr$^{4+}$ cation has a $4f$ electron in the $Γ_7$ doublet, which comprises a spin-orbital entangled Kramers pair with the effective moment $J_{\rm eff}=1/2$. By using the Wannier orbitals from the {\it ab initio} calculations, we find that the effective interactions between the $J_{\r…
Quantum spin liquid is a disordered magnetic state with fractional spin excitations. Its clearest example is found in an exactly solved Kitaev honeycomb model where a spin flip fractionalizes into two types of anyons, quasiparticles that are neither fermions nor bosons: a pair of gauge fluxes and a Majorana fermion. Here we demonstrate this kind of fractionalization in the Kitaev paramagnetic state of the honeycomb magnet $α$-RuCl$_3$. The spin-excitation gap measured by nuclear magnetic resonance consists of the predicted Majorana fermion contribution following the cube of the applied magneti…
The honeycomb $K-Γ$ model is known to have both deconfined spin liquid and confined phases. We study here a confinement transition between the Kitaev spin liquid and a dimerized phase in the limit of strong bond anisotropy. By partially projecting out Majorana states we are able to map the model onto a model of weakly coupled Ising chains in a transverse field. Within this mapping the ordered Ising phase corresponds to the condensation of $Z_2$ fluxes, or confinement. Our results may improve our understanding of the extensively studied spin liquid candidate material $α$-RuCl$_3$, where $K-Γ$ i…
We compute the quantum Fisher information (QFI) associated with two different local operators in the Kitaev honeycomb model, and find divergent behaviour in the second derivatives of these quantities with respect to the driving parameter at the quantum phase transition between the gapped and gapless phases for both fully anti-ferromagnetic and fully ferromagnetic exchange couplings. The QFI associated with a local magnetization operator behaves differently from that associated with a local bond operator depending on whether the critical point is approached from the gapped or gapless side. We s…
Here we revisit the thermodynamics of the Kitaev quantum spin liquid realized on the honeycomb lattice. We address two main questions: First, we investigate whether there are observable thermodynamic signatures of the topological Majorana boundary modes of the Kitaev honeycomb model. We argue that for the time-reversal invariant case the residual low-temperature entropy is the primary thermodynamic signature of these Majorana edge modes, and verify using large-scale Monte Carlo simulations that this residual entropy is present in the full Kitaev model. When time-reversal symmetry is broken, th…
