We study the effect of bond disorder in extended Heisenberg-Kitaev models on the honeycomb lattice, relevant for materials such as $α$-RuCl$_3$, in the semiclassical limit using a combination of T-matrix and real-space spin-wave approaches. Focusing on the regime of large applied magnetic field, we discuss two distinct but related disorder-induced phenomena, namely spin textures in the vicinity of isolated impurities and magnetic excitations below the bulk gap. A finite impurity concentration smears the field-tuned phase transition and turns the isolated in-gap states into impurity bands. As a result, there is a large field regime above the bulk transition into the high-field phase where impurity-induced states fill the bulk spin gap. We illustrate the field dependence of these in-gap states for parameters relevant for $α$-RuCl$_3$, and we connect our results to heat-transport and NMR data which indicated their presence.
In this work, we analyze the nonsymmorphic symmetry group structures for a variety of generalized Kitaev spin chains and ladders with bond alternations, including Kitaev-Gamma chain, Kitaev-Heisenberg-Gamma chain, beyond nearest neighbor interactions, and two-leg spin ladders. The symmetry analysis is applied to determine the symmetry breaking patterns of several magnetically ordered phases in the bond-alternating Kitaev-Gamma spin chains, as well as the dimerization order parameters for spontaneous dimerizations. Our work is useful in understanding the magnetic phases in related models and ma…
We study bond energy correlation functions in an exactly solvable quantum spin model of Kitaev type on the kagome lattice with stable Fermi surface of partons proposed recently by Chua et al, Ref.\[arXiv:1010.1035]. Even though any spin correlations are ultra-short ranged, we find that the bond energy correlations have power law behavior with a $1/|{\bm r}|^3$ envelope and oscillations at incommensurate wavevectors. We determine the corresponding singular surfaces in momentum space, which provide a gauge-invariant characterization of this gapless spin liquid.
Magnetization and high-resolution x-ray diffraction measurements of the Kitaev-Heisenberg material alpha-RuCl3 reveal a pressure-induced crystallographic and magnetic phase transition at a hydrostatic pressure of p=0.2 GPa. This structural transition into a triclinic phase is characterized by a very strong dimerization of the Ru-Ru bonds, accompanied by a collapse of the magnetic susceptibility. Ab initio quantum-chemistry calculations disclose a pressure-induced enhancement of the direct 4d-4d bonding on particular Ru-Ru links, causing a sharp increase of the antiferromagnetic exchange intera…
Spin-orbit coupling locks spin direction and spatial orientation and generates, in semi-classical magnets, a local spin easy-axis and associated ordering. Quantum spin-1/2's defy this fate: rather than spins becoming locally anisotropic, the spin-spin interactions do. Consequently interactions become dependent on the spatial orientation of bonds between spins, prime theoretical examples of which are Kitaev magnets. Bond-directional interactions imply the existence of bond-directional magnetic modes, predicted spin excitations that render crystallographically equivalent bonds magnetically inequ…
The Kitaev model realizes a quantum spin liquid where the spin excitations are fractionalized into itinerant Majorana fermions and localized $\mathbb{Z}_2$ vortices. Quantum entanglement between the fractional excitations can be utilized for decoherence-free topological quantum computation. Of particular interest is the anyonic statistics realized by braiding the vortex excitations under a magnetic field. Despite the promising potential, the practical methodology for creation and control of the vortex excitations remains elusive thus far. Here we theoretically propose how one can create and mo…
In the pseudospin-$\frac{1}{2}$ honeycomb Mott insulators with strong spin-orbit coupling, there are two types of bond-dependent exchange interactions, named Kitaev ($K$) and $Γ$, leading to strong frustration. While the ground state of the Kitaev model is a quantum spin liquid with fractionalized excitations, the ground state of the $Γ$ model remains controversial. In particular, the phase diagram of the $KΓ$ model with ferromagnetic $K$ and antiferromagnetic $Γ$ interactions has been intensively studied because of its relevance to candidate materials such as $α$-RuCl$_{3}$. Numerical studies…
Topological and Trivial Valence-Bond Orders in Higher-Spin Kitaev Models
Ghent University（根特大学）；University of Amsterdam（阿姆斯特丹大学）；Rudolf Peierls Centre for Theoretical Physics, Clarendon Laboratory, Parks Road, Oxford OX1 3PU, United Kingdom（鲁道夫·皮尔斯理论物理中心，克拉伦登实验室，英国牛津公园路）
The Kitaev model, characterized by bond-dependent Ising spin interactions among spin-orbit entangled dipole moments in Mott insulators, offered a new approach to quantum spin liquids. Motivated by another type of bond-dependent interaction among quadrupole moments in $5d^2$ Mott insulators, we provide a microscopic route to uncover the Kitaev multipolar liquid, featuring fractionalized excitations out of non-Kramers doublets carrying multipole moments. The key ingredient is the magnetic field that allows for bond-anisotropic quadrupole-octupole interactions via mixing with the excited triplet …
We theoretically show that the Kitaev interaction generates a novel class of spin texture in the excitation spectrum of the antiferromagnetic insulator found in the Kitaev-Heisenberg-$Γ$ model. In conducting electronic systems, there is a series of vortex type of spin texture along the Fermi surface induced by Rashba and Dresselhaus spin-orbit coupling. Such spin textures are rarely found in magnetic insulators, since there had been no systematic ways to control the kinetics of its quasi-particle called magnon using a magnetic field or spacially asymmetric exchange couplings. Here, we propose …
We investigate magnetic properties in the $S=1$ Kitaev model in the anisotropic limit. Performing the fourth-order perturbation expansion with respect to the $x$-bonds, $y$-bonds, and magnetic field, we derive the effective Hamiltonian, where the low-energy physics should be described by the free spins with an effective magnetic field. Making use of the exact diagonalization method for small clusters, we discuss ground-state properties in the system complementary.
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…
We present a reentrant phase transition in a bridging model between two different topological models: Kitaev and Haldane chains. This model is activated by introducing a bond alternation into the Kitaev chain [A. Yu Kitaev, Phys.-Usp. {\bf 44} 131 (2001)]. Without the bond alternation, finite pairing potential induces a topological state defined by zero-energy Majorana edge mode, while finite bond alternation without the pairing potential makes a different topological state similar to the Haldane state, which is defined by local Berry phase in the bulk. The topologically-ordered state correspo…
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…
H3LiIr2O6 is the first honeycomb-lattice system without any signs of long-range magnetic order down to the lowest temperatures, raising the hope for the realization of an ideal Kitaev quantum spin liquid. Its honeycomb layers are coupled by interlayer hydrogen bonds. Static or dynamic disorder of these hydrogen bonds was proposed to strongly affect the magnetic exchange and to make Kitaev-type interactions dominant. Using dielectric spectroscopy, here we provide experimental evidence for dipolar relaxations in H3LiIr2O6 and deuterated D3LiIr2O6, which mirror the dynamics of protons and deutero…
One-dimensional gapped phases that avoid any symmetry breaking have drawn enduring attention. In this paper, we study such phases in a bond-alternating spin-1 $K$-$Γ$ chain built of a Kitaev ($K$) interaction and an off-diagonal $Γ$ term. In the case of isotropic bond strength, a Haldane phase, which resembles the ground state of a spin-$1$ Heisenberg chain, is identified in a wide region. A gapped Kitaev phase situated at dominant ferromagnetic and antiferromagnetic Kitaev limits is also found. The Kitaev phase has extremely short-range spin correlations and is characterized by finite $\mathb…
We study exactly both the ground-state fidelity susceptibility and bond-bond correlation function in the Kitaev honeycomb model. Our results show that the fidelity susceptibility can be used to identify the topological phase transition from a gapped A phase with Abelian anyon excitations to a gapless B phase with non-Abelian anyon excitations. We also find that the bond-bond correlation function decays exponentially in the gapped phase, but algebraically in the gapless phase. For the former case, the correlation length is found to be $1/ξ=2\sinh^{-1}[\sqrt{2J_z -1}/(1-J_z)]$, which diverges ar…
The key to unraveling intriguing phenomena observed in various Kitaev materials lies in understanding the interplay of Kitaev ($K$) interaction and a symmetric off-diagonal $Γ$ interaction. To provide insight into the challenging problems, we study the quantum phase diagram of a bond-alternating spin-$1/2$ $g_x$-$g_y$ $K$-$Γ$ chain by density-matrix renormalization group method where $g_x$ and $g_y$ are the bond strengths of the odd and even bonds, respectively. The phase diagram is dominated by even-Haldane ($g_x > g_y$) and odd-Haldane ($g_x < g_y$) phases where the former is topologically t…
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…
The appearance of half-quantized thermal Hall conductivity in $α$-RuCl$_3$ in the presence of in-plane magnetic fields has been taken as a strong evidence for Kitaev spin liquid. Apart from the quantization, the observed sign structure of the thermal Hall conductivity is also consistent with predictions from the exact solution of the Kitaev model. Namely, the thermal Hall conductivity changes sign when the field direction is reversed with respect to the heat current, which is perpendicular to one of the three nearest neighbor bonds on the honeycomb lattice. On the other hand, it is almost zero…
Sizable Ligand-Mediated Bond-Dependent Interactions in a Spin-1 Triangular Antiferromagnet NiI$_2$
National Laboratory of Solid State Microstructures and School of Physics, Nanjing University（南京大学固体微结构物理实验室和物理学院）；Key Laboratory of Computational Physical Sciences (Ministry of Education), Institute of Computational Physical Sciences, State Key Laboratory of Surface Physics, and Department of Physics, Fudan University（复旦大学计算物理科学教育部重点实验室、计算物理科学研究院、表面物理国家重点大学和物理系）
We study the spin-one Kitaev model on the honeycomb lattice in the presence of single-ion anisotropies. We consider two types of single ion anisotropies: A $D_{111}$ anisotropy which preserves the symmetry between $X$, $Y$, and $Z$ bonds but violates flux conservation and a $D_{100}$ anisotropy that breaks the symmetry between $X$, $Y$, and $Z$ bonds but preserves flux conservation. We use series expansion methods, degenerate perturbation theory, and exact diagonalization to study these systems. Large positive $D_{111}$ anisotropy leads to a simple product ground state with conventional magnon…
Kitaev's compass model on the honeycomb lattice realizes a spin liquid whose emergent excitations are dispersive Majorana fermions and static Z_2 gauge fluxes. We discuss the proper selection of physical states for finite-size simulations in the Majorana representation, based on a recent paper by Pedrocchi, Chesi, and Loss [Phys. Rev. B 84, 165414 (2011)]. Certain physical observables acquire large finite-size effects, in particular if the ground state is not fermion-free, which we prove to generally apply to the system in the gapless phase and with periodic boundary conditions. To illustrate …
Heisenberg interactions are ubiquitous in magnetic materials and have been prevailing in modeling and designing quantum magnets. Bond-directional interactions offer a novel alternative to Heisenberg exchange and provide the building blocks of the Kitaev model, which has a quantum spin liquid (QSL) as its exact ground state. Honeycomb iridates, A2IrO3 (A=Na,Li), offer potential realizations of the Kitaev model, and their reported magnetic behaviors may be interpreted within the Kitaev framework. However, the extent of their relevance to the Kitaev model remains unclear, as evidence for bond-dir…
We introduce valence bond fluctuations, or bipartite fluctuations associated to bond-bond correlation functions, to characterize quantum spin liquids and their entanglement properties. Using analytical and numerical approaches, we find an identical scaling law between valence bond fluctuations and entanglement entropy in the two-dimensional Kitaev spin model and in one-dimensional chain analogues. We also show how these valence bond fluctuations can locate quantum phase transitions between the three gapped and the gapless Majorana semi-metal phases in the honeycomb model. We then study the eff…
The current efforts to find the materials hosting Kitaev model physics have been focused on Mott insulators of d^5 pseudospin-1/2 ions Ir^{4+} and Ru^{3+} with t_{2g}^5(S=1/2, L=1) electronic configuration. Here we propose that the Kitaev model can be realized in materials based on d^7 ions with t_{2g}^5e_g^2(S=3/2, L=1) configuration such as Co^{2+}, which also host the pseudospin-1/2 magnetism. Considering possible exchange processes, we have derived the d^7 pseudospin-1/2 interactions in 90^{\circ} bonding geometry. The obtained Hamiltonian comprises the bond-directional Kitaev K and isotro…
The interplay among anisotropic magnetic terms, such as the bond-dependent Kitaev interactions and single-ion anisotropy, plays a key role in stabilizing the finite-temperature ferromagnetism in the two-dimensional compound $\rm{CrSiTe_3}$. While the Heisenberg interaction is predominant in this material, a recent work shows that it is rather sensitive to the compressive strain, leading to a variety of phases, possibly including a sought-after Kitaev quantum spin liquid [C. Xu, \textit{et. al.}, Phys. Rev. Lett. \textbf{124}, 087205 (2020)]. To further understand these states, we establish the…
Magnetic fields can give rise to a plethora of phenomena in Kitaev spin systems, such as the formation of non-trivial spin liquids in two and three spatial dimensions. For the original honeycomb Kitaev model, it has recently been observed that the sign of the bond-directional exchange is of crucial relevance for the field-induced physics, with antiferromagnetic couplings giving rise to an intermediate spin liquid regime between the low-field gapped Kitaev spin liquid and the high-field polarized state, which is not present in the ferromagnetically coupled model. Here, by employing a Majorana m…
The quantum spin liquid (QSL) state has been searched intensively in Kitaev-like materials, such as the Iridium oxides $A_2$IrO$_3$ and $α$-RuCl$_3$. The half-filled Kitaev-Hubbard model with bond dependent hopping terms is used to describe the Kitaev-like materials, which is calculated using the state-of-the-art fermionic projected entangled pair states (fPEPS) method. We find a QSL phase near the Mott insulator transition, which has a strong first-order transition to the semi-metal phase with the decrease of Hubbard $U$. We suggest that a promising routine to find the QSL is to find the Irid…
In recent years, several magnetic Mott insulators with strong spin-orbit couplings were suggested to be proximate to the Kitaev quantum spin liquid (QSL) whose one of the most exciting features is the fractionalization of spin excitations into itinerant Majorana fermions and static $Z_2$ fluxes. Motivated by the emergence of this plethora of 4d and 5d transition metal Kitaev materials and by the fact that some level of disorder is inevitable in real materials, here we study how the Kitaev QSL responds to various forms of disorder, such as vacancies, impurities, and bond randomness. First, we a…
The spin-1/2 Heisenberg kagome antiferromagnet is one of the paradigmatic playgrounds for frustrated quantum magnetism, with an extensive number of competing resonating valence bond (RVB) states emerging at low energies, including gapped and gapless spin liquids and valence bond crystals. Here we revisit the crossover from this quantum RVB phase to a semiclassical regime brought about by anisotropic Kitaev interactions, and focus on the precise mechanisms underpinning this crossover. To this end, we introduce a simple parametrization of the classical ground states (GSs) in terms of emergent Is…
We investigate the impact of two types of disorder, bond randomness and site dilution, on the spin dynamics in the Kitaev model on a honeycomb lattice. The ground state of this model is a canonical quantum spin liquid with spin fractionalization into two types of quasiparticles, itinerant Majorana fermions and localized fluxes. Using unbiased quantum Monte Carlo simulations, we calculate the temperature evolution of the dynamical spin structure factor, the magnetic susceptibility, and the NMR relaxation rate. In the dynamical spin structure factor, we find that the two types of disorder affect…
We study the exchange interactions and resulting magnetic phases in the honeycomb cobaltates. For a broad range of trigonal crystal fields acting on Co2+ ions, the low-energy pseudospin-1/2 Hamiltonian is dominated by bond-dependent Ising couplings that constitute the Kitaev model. The non-Kitaev terms nearly vanish at small values of trigonal field Δ, resulting in spin liquid ground state. Considering Na3Co2SbO6 as an example, we find that this compound is proximate to a Kitaev spin liquid phase, and can be driven into it by slightly reducing Δby \sim 20 meV, e.g., via strain or pressure cont…
The bond-dependent Ising interaction present in the Kitaev model has attracted considerable attention. The appearance of an unexpected intermediate phase under a magnetic field is particularly intriguing, and one may wonder if a similar phase occurs in the Kitaev spin chain with alternating $x$- and $y$-bond Ising interactions. Previous studies have focused on a transverse field, $h_z$, and reported a direct transition to the polarized state. Here, we investigate phases with arbitrary angle of two longitudinal fields, $h_x$ and $h_y$. For a magnetic field applied along the diagonal, $h_x$=$h_y…
Materials that realize Kitaev spin models with bond-dependent anisotropic interactions have long been searched for, as the resulting frustration effects are predicted to stabilize novel forms of magnetic order or quantum spin liquids. Here we explore the magnetism of $γ$-Li$_2$IrO$_3$, which has the topology of a 3D Kitaev lattice of inter-connected Ir honeycombs. Using resonant magnetic x-ray diffraction we find a complex, yet highly-symmetric incommensurate magnetic structure with non-coplanar and counter-rotating Ir moments. We propose a minimal Kitaev-Heisenberg Hamiltonian that naturally …
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…
Recent experimental evidence for a field-induced quantum spin liquid (QSL) in $α$-RuCl$_3$ calls for an understanding for the ground state of honeycomb Kitaev model under a magnetic field. In this work we address the nature of an enigmatic gapless paramagnetic phase in the antiferromagnetic Kitave model, under an intermediate magnetic field perpendicular to the plane. Combining theoretical and numerical efforts, we identify this gapless phase as a $U(1)$ QSL with spinon Fermi surfaces. We also reveal the nature of continuous quantum phase transitions involving this $U(1)$ QSL, and obtain a pha…
We study the impurity physics at a continuous quantum phase transition from an SU(3) symmetric Néel ordered state to a valence bond solid state that breaks lattice symmetries, using quantum Monte Carlo techniques. This continuous transition is expected to be an example of `deconfined criticality' in an SU(3) symmetric system. We find that the spin-texture induced by a missing-spin defect at the transition takes on a finite-size scaling form consistent with expectations from standard scaling arguments at a scale-invariant quantum critical point, albeit with significant subleading power-law fini…
A number of topological phases are found to emerge in the ferromagnetic Kitaev-Heisenberg model on CaVO lattice in the presence of Dzyaloshinskii-Moriya interaction. Heisenberg and Kitaev terms have been considered on nearest and next-nearest neighbor bonds in a variety of ways. Both isotropic and anisotropic couplings are taken into account. Topological phases are characterized by Chern numbers for the distinct magnon bands as well as the number of modes for topologically protected gapless magnon edge states. Band structure, dispersion relation along the high-symmetric points of first Brillou…
Recently, realizations of Kitaev physics have been sought in the A2IrO3 family of honeycomb iridates, originating from oxygen-mediated exchange through edge-shared octahedra. However, for the j = 1/2 Mott insulator in these materials exchange from direct d-orbital overlap is relevant, and it was proposed that a Heisenberg term should be added to the Kitaev model. Here we provide the generic nearest-neighbour spin Hamiltonian when both oxygen-mediated and direct overlap are present, containing a bond dependent off-diagonal exchange in addition to Heisenberg and Kitaev terms. We analyze this com…
We study the quantum spin liquid phase in a variant of the Kitaev model where the bonds of the honeycomb lattice are distributed in a Kekulé pattern. The system supports gapped and gapless Z_2 quantum spin liquids with interesting differences from the original Kitaev model, the most notable being a gapped Z_2 spin liquid on a Kagome lattice. Perturbing the exactly solvable model with antiferromagnetic Heisenberg perturbations, we find a magnetically ordered phase stabilized by a quantum `order by disorder' mechanism, as well as an exotic continuous phase transition between the topological spin…
In transition-metal compounds with partially filled $4d$ and $5d$ shells spin-orbit entanglement, electronic correlations, and crystal-field effects conspire to give rise to a variety of novel forms of topological quantum matter. This includes Kitaev materials -- a family of spin-orbit assisted Mott insulators, in which local, spin-orbit entangled $j=1/2$ moments form that are subject to strong bond-directional interactions. On a conceptual level, Kitaev materials attract much interest for their unconventional forms of magnetism, such as spin liquid physics in two- and three-dimensional lattic…
In this paper we examine the possibility of Floquet engineering in the three candidate Kitaev materials $\mathrm{Na}_2\mathrm{IrO}_3$, $α$-$\mathrm{Li}_2\mathrm{IrO}_3$ and $α$-$\mathrm{RuCl}_3$. We derive an effective Floquet Hamiltonian and give an approximation for heating processes arising from doublon holon propagation.This suggests that compounds with stronger Hund's-rule coupling are less prone to heating. We then investigate the impact of light frequency and amplitude on magnetic interaction terms up to third-nearest-neighbor and find that third-neighbor Heisenberg coupling $J_3$ is ve…
In this study, we reanalyze the magnetic interactions in the Kitaev spin liquid candidate materials Na$_2$IrO$_3$, $α$-RuCl$_3$, and $α$-Li$_2$IrO$_3$ using nonperturbative exact diagonalization methods. These methods are more appropriate given the relatively itinerant nature of the systems suggested in previous works. We treat all interactions up to third neighbours on equal footing. The computed terms reveal significant long range coupling, bond-anisotropy, and/or off-diagonal couplings which we argue naturally explain the observed ordered phases in these systems. Given these observations, t…
The bond-dependent Kitaev model on the honeycomb lattice with anyonic excitations has recently attracted considerable attention. However, in solid state materials other spin interactions are present, and among such additional interactions, the off-diagonal symmetric Gamma interaction, another type of bond-dependent term, has been particularly challenging to fully understand. A minimal Kitaev-Gamma (KG) model has been investigated by various numerical techniques under a magnetic field, but definite conclusions about field-induced spin liquids remain elusive and one reason may lie in the limited…
