The combination of geometric frustration, extended hopping, spin-orbit coupling, and a disordered magnetic ground state make NaRuO$_{2}$ an attractive Heisenberg-Kitaev candidate material. Historically, NaRuO$_2$ has been a challenging material to produce, even in polycrystalline form. Here we present synthetic efforts that identify a propensity for Na$_\text{Ru}$ defects to form in NaRuO$_2$, revealing a full solid-solution between NaRuO$_{2}$ and disordered Na$_2$RuO$_3$. We report the synthesis of alloys along the Na$_{3+x}$Ru$_{3-x}$O$_6$ solid solution and characterize changes in the bulk magnetization and electron transport as a function of Na-loading. Our results highlight the importance of stoichiometry control in NaRuO$_{2}$ when investigating and interpreting this material's physical properties.
We present a detailed analysis of the Kitaev--Heisenberg model on a single hexagon. The energy spectra and spin--spin correlations obtained using exact diagonalisation indicate quantum phase transitions between antiferromagnetic and anisotropic spin correlations when the Kitaev interactions increase. In cluster mean-field approach frustrated nearest neighbor exchange stabilizes the stripe phase in between the Néel phase and frustrated one which evolves towards the Kitaev spin liquid.
We study the Kitaev-Heisenberg-$Γ$ model with antiferromagnetic Kitaev exchanges in the strong anisotropic (toric code) limit to understand the phases and the intervening phase transitions between the gapped $Z_2$ quantum spin liquid and the spin-ordered (in the Heisenberg limit) as well as paramagnetic phases (in the pseudo-dipolar, $Γ$, limit). We find that the paramagnetic phase obtained in the large $Γ$ limit has no topological entanglement entropy and is proximate to a gapless critical point of a system described by an equal superposition of differently oriented stacked one-dimensional $Z…
We investigate the thermal Hall effect in a Kitaev-Heisenberg system, a model for Kitaev candidate $α$-RuCl$_3$, in the presence of the coupling between spin and phonon arising from chlorine atoms' vibration. We observe that the coupling modifies the relative stability between different magnetic states under a magnetic field, especially stabilizing a canted zigzag antiferromagnetic state. Remarkably, the spin-phonon interaction has distinct effects on the thermal Hall conductivity in different magnetically ordered states. For the canted zigzag state, which is relevant to $α\text{-RuCl}_3$, the…
Motivated by the recent experimental observation of a Mott insulating state for the layered Iridate Na2IrO3, we discuss possible ordering states of the effective Iridium moments in the presence of strong spin-orbit coupling and a magnetic field. For a field pointing in the [111] direction - perpendicular to the hexagonal lattice formed by the Iridium moments - we find that a combination of Heisenberg and Kitaev exchange interactions gives rise to a rich phase diagram with both symmetry breaking magnetically ordered phases as well as a topologically ordered phase that is stable over a small ran…
Na$_2$IrO$_3$ was one of the first materials proposed to feature the Kane-Mele type topological insulator phase. Contemporaneously it was claimed that the very same material is in a Mott insulating phase which is described by the Kitaev-Heisenberg (KH) model. First experiments indeed revealed Mott insulating behavior in conjunction with antiferromagnetic long-range order. Further refined experiments established antiferromagnetic order of zigzag type which is not captured by the KH model. Since then several extensions and modifications of the KH model were proposed in order to describe the expe…
Combining thermodynamic measurements with theoretical density functional and thermodynamic calculations we demonstrate that the honeycomb lattice iridates A2IrO3 (A = Na, Li) are magnetically ordered Mott insulators where the magnetism of the effective spin-orbital S = 1/2 moments can be captured by a Heisenberg-Kitaev (HK) model with Heisenberg interactions beyond nearest-neighbor exchange. Experimentally, we observe an increase of the Curie-Weiss temperature from θ= -125 K for Na2IrO3 to θ= -33 K for Li2IrO3, while the antiferromagnetic ordering temperature remains roughly the same T_N = 15 …
The global phase diagram of a doped Kitaev-Heisenberg model is studied using an SU(2) slave-boson mean-field method. Near the Kitaev limit, p-wave superconducting states which break the time-reversal symmetry are stabilized as reported by You {\it et al.} [Phys. Rev. B {\bf 86}, 085145 (2012)] irrespective of the sign of the Kitaev interaction. By further doping, a d-wave superconducting state appears when the Kitaev interaction is antiferromagnetic, while another p-wave superconducting state appears when the Kitaev interaction is ferromagnetic. This p-wave superconducting state does not break…
A Kitaev-Heisenberg-J2-J3 model is proposed to describe the Mott-insulating layered iridates A2IrO3 (A=Na,Li). The model is a combination of the Kitaev honeycomb model and the Heisenberg model with all three nearest neighbor couplings J1, J2 and J3. A rich phase diagram is obtained at the classical level, including the experimentally suggested zigzag ordered phase; as well as the stripy phase, which extends from the Kitaev-Heisenberg limit to the J1-J2-J3 one. Combining the experimentally observed spin order with the optimal fitting to the uniform magnetic susceptibility data gives an estimate…
We compute the low-energy excitation spectrum and the dynamical spin structure factor of the Kitaev-Heisenberg-Gamma model through a variational approach based on the exact fractionalized excitations of the pure Kitaev honeycomb model. This novel approach reveals the physical reason for the asymmetric stability of the Kitaev spin liquid phases around the ferromagnetic and antiferromagnetic Kitaev limits. Moreover, we demonstrate that the fractionalized excitations form bound states in specific regions of each Kitaev spin liquid phase and that certain phase transitions induced by Heisenberg and…
We study the ground state and low-lying excited states of the Kitaev-Heisenberg model on a ladder geometry using the density matrix renormalization group and Lanczos exact diagonalization methods. The Kitaev and Heisenberg interactions are parametrized as $K=\sinϕ$ and $J=\cosϕ$ with an angle parameter $ϕ$. Based on the results for several types of order parameters, excitation gaps, and entanglement spectra, the $ϕ$-dependent ground-state phase diagram is determined. Remarkably, the phase diagram is quite similar to that of the Kitaev-Heisenberg model on a honeycomb lattice, exhibiting the sam…
We identify fingerprints of a proximate quantum spin-liquid (QSL), observable by finite-temperature dynamical thermal transport within a minimal version of the idealized Kitaev model on a two-leg ladder, if subjected to inevitably present Heisenberg couplings. Using exact diagonalization and quantum typicality, we uncover (i) an insulator-conductor crossover induced by fracton recombination at infinitesimal Heisenberg coupling, (ii) low- and high-energy signatures of fractons, which survive far off the pure QSL point, and (iii) a non-monotonous current life-time versus Heisenberg couplings. Gu…
We study the spin-$\frac{1}{2}$ Kitaev-Heisenberg (KJ) model in a two-leg ladder. Without a Heisenberg interaction, the Kitaev phase in the ladder model has Majorana fermions with local Z$_2$ gauge fields, and is usually described as a disordered phase without any order parameter. Here we prove the existence of a non-local string order parameter (SOP) in the Kitaev phase which survives with a finite Heisenberg interaction. The SOP is obtained by relating the Kitaev ladder, through a non-local unitary transformation, to a one-dimensional $XY$ chain with an Ising coupling to a dangling spin at e…
We study an extended Kitaev-Heisenberg model including additional anisotropic couplings by using two-dimensional density-matrix renormalization group method. Calculating the gound-state energy, entanglement entropy, and spin-spin correlation functions, we make a phase diagram of the extended Kitaev-Heisenberg model around spin-liquid phase. We find a zigzag antiferromagnetic phase, a ferromagnetic phase, a 120-degree antiferromagnetic phase, and two kinds of incommensurate phases around the Kitaev spin-liquid phase. Furthermore, we study the entanglement spectrum of the model and find that ent…
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…
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.
Ground State Properties of the Doped Kitaev-Heisenberg Chain: Topological Superconducting and Mott Insulating Phases Driven by Magnetic Frustration
University of Warsaw（华沙大学）；TU Wien（维也纳工业大学）；Technical University Dresden（德累斯顿工业大学）；Institute for Theoretical Solid State Physics, IFW Dresden（德累斯顿联邦材料研究所理论固态物理研究所）
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…
We explore the nature of the quantum phase transition between a magnetically ordered state with collinear spin pattern and a gapless $Z_2$ spin liquid in the Heisenberg-Kitaev model. We construct a slave particle mean field theory for the Heisenberg-Kitaev model in terms of complex fermionic spinons. It is shown that this theory, formulated in the appropriate basis, is capable of describing the Kitaev spin liquid as well as the transition between the gapless $Z_2$ spin liquid and the so-called stripy antiferromagnet. In particular, within a mean field theory, we have a discontinuous transition…
We study quantum disordered ground states of the two dimensional Heisenberg-Kitaev model on the triangular lattice using a Schwinger boson approach. Our aim is to identify and characterize potential gapped quantum spin liquid phases that are stabilized by anisotropic Kitaev interactions. For antiferromagnetic Heisenberg- and Kitaev couplings and sufficiently small spin $S$ we find three different symmetric $Z_2$ spin liquid phases, separated by two continuous quantum phase transitions. Interestingly, the gap of elementary excitations remains finite throughout the transitions. The first spin li…
Relevance of on-site and intersite Coulomb interactions in the Kitaev-Heisenberg magnet Na$_3$Co$_2$SbO$_6$
Institute for Theoretical Solid State Physics, Leibniz IFW Dresden（德累斯顿亥姆霍兹中心莱布尼茨研究所理论固态物理研究所）；Department of Physics, Karpagam Academy of Higher Education（卡尔帕甘高等教育学院物理系）；Centre for Computational Physics, Karpagam Academy of Higher Education（卡尔帕甘高等教育学院计算物理中心）；School of Physics, University of Melbourne（墨尔本大学物理学院）；Department of Physics, Technical University Dresden（德累斯顿工业大学物理系）
The combination of strong spin-orbit coupling and correlations, e.g. in ruthenates and iridates, has been proposed as a means to realize quantum materials with nontrivial topological properties. We discuss here Mott insulators where onsite spin-orbit coupling favors a local $J_{\textrm{tot}}=0$ singlet ground state. We investigate excitations into a low-lying triplet, triplons, and find them to acquire nontrivial band topology in a magnetic field. We also comment on magnetic states resulting from triplon condensation, where we find, in addition to the same ordered phases known from the $J_{\te…
A range of honeycomb-lattice compounds has been proposed and investigated in the search for a topological Kitaev spin liquid. However, sizable Heisenberg interactions and additional symmetry-allowed exchange anisotropies in the magnetic Hamiltonian of these potential Kitaev materials push them away from the pure Kitaev spin-liquid state. Particularly the Kitaev-to-Heisenberg coupling ratio is essential in this respect. With the help of advanced quantum-chemistry methods, we explore how the magnetic coupling ratios depend on pressure in several honeycomb compounds (Na$_2$IrO$_3$, $β$-Li$_2$IrO$…
The Kitaev-Heisenberg model on the honeycomb lattice has been studied for the purpose of finding exotic states such as quantum spin liquid and topological orders. On the kagome lattice, in spite of a spin-liquid ground state in the Heisenberg model, the stability of the spin-liquid state has hardly been studied in the presence of the Kitaev interaction. Therefore, we investigate the ground state of the classical and quantum spin systems of the kagome Kitaev-Heisenberg model. In the classical system, we obtain an exact phase diagram that has an eight-fold degenerated canted ferromagnetic phase …
We study the Heisenberg-Kitaev chain in order to uncover the interplay between two qualitatively different integrable points in the physics of heat transport in one dimension. Focusing on high temperatures and using analytical as well as numerical approaches within linear response theory, we explore several directions in parameter space including exchange-coupling ratios, anisotropies, and external magnetic fields. We show the emergence of purely ballistic energy transport at all integrable points, manifest in pronounced Drude weights and low-frequency suppression of regular-conductivity contr…
In the search for quantum spin liquids, candidate materials for the Kitaev model and its extensions have been intensively explored during the past decade, as the models realize the exact quantum spin liquids in the ground state. Thus far, insulating magnets in the low-spin $d^5$ electron configuration under the strong spin-orbit coupling have been studied for realizing the Kitaev-type bond-dependent anisotropic interactions between the spin-orbital entangled Kramers doublets. To extend the candidates, here we investigate the systems in a high-spin $d^7$ electron configuration, whose ground sta…
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 …
We study the extended Kitaev-Heisenberg (EKH) quantum spin model by adding bond-dependent off-diagonal Heisenberg term into the original KH model, which was recently proposed to describe the honeycomb Iridates. A rigorous mathematical mapping of spin operators reveals the intrinsic symmetry of the model Hamiltonian. By employing an unbiased numerical entanglement renormalization method based on tensor network ansatz, we obtain the global phase diagram containing eight distinct quantum phases. By using the dual mapping of spin operators, each of the individual magnetic phase in the global phase…
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…
We study a spin model on honeycomb lattice with two types of Heisenberg exchange couplings, $J$ and $\tilde J$, where $J$ is for the conventional spin and and $\tilde J$ for rotated spin. When $\tilde J=0$, this is the conventional Heisenberg model. When J=0, the system is either in a stripy antiferromagnetic order($\tilde J<0$, ferromagnetic for rotated spin) or a zig-zag antiferromagnetic order ($\tilde J>0$, antiferromagnetic for rotated spin). The competition between two ferromagnetic orders or two antiferromagnetic orders induces Kitaev's spin liquid phase characterized by the exactly sol…
A central question on Kitaev materials is the effects of additional couplings on the Kitaev model which is proposed to be a candidate for realizing topological quantum computations. However, two spatial dimension typically suffers the difficulty of lacking controllable approaches. In this work, using a combination of powerful analytical and numerical methods available in one dimension, we perform a comprehensive study on the phase diagram of a one-dimensional version of the spin-1/2 Kitaev-Heisenberg-Gamma model in its full parameter space. A strikingly rich phase diagram is found with nine di…
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…
We develop high temperature series expansions for the thermodynamic properties of the honeycomb-lattice Kitaev-Heisenberg model. Numerical results for uniform susceptibility, heat capacity and entropy as a function of temperature for different values of the Kitaev coupling $K$ and Heisenberg exachange coupling $J$ (with $|J|\le |K|$) are presented. These expansions show good convergence down to a temperature of a fraction of $K$ and in some cases down to $T=K/10$. In the Kitaev exchange dominated regime, the inverse susceptibility has a nearly linear temperature dependence over a wide temperat…
The Kitaev model, whose ground state is a quantum spin liquid (QSL), was originally conceived for spin $S=1/2$ moments on a honeycomb lattice. In recent years, the model has been extended to higher $S$ from both theoretical and experimental interests, but the stability of the QSL ground state has not been systematically clarified for general $S$, especially in the presence of other additional interactions, which inevitably exist in candidate materials. Here we study the spin-$S$ Kitaev-Heisenberg models by using an extension of the pseudofermion functional renormalization group method to gener…
With the advancement in synthesizing and analyzing Kitaev materials, the Kitaev-Heisenberg model on the honeycomb lattice has attracted a lot of attention in the last few years. Several variations, which include additional anisotropic interactions as well as response to external magnetic field, have been investigated and many exotic ordered phases have been discussed. On the other hand, quantum spin systems are proving to be a fertile ground to realize and study bosonic analogues of fermionic topological states of matter. Using the spin-wave theory we show that the ferromagnetic phase of the e…
We investigate the finite-temperature phase diagram of the classical Kitaev-Heisenberg model on the hexagonal lattice. Due to the anisotropy introduced by the Kitaev interaction, the model is magnetically ordered at low temperatures for all values of parameters at which the model has a discrete symmetry. The ordered phase is stabilized entropically by an order by disorder mechanism where thermal fluctuations of classical spins select collinear magnetic orders in which magnetic moments point along one of the cubic directions. We find that there is an intermediate phase between the low-temperatu…
The $S=1/2$ Kitaev honeycomb model has attracted significant attention as an exactly solvable example with a quantum spin liquid ground state. In a properly oriented external magnetic field, chiral Majorana edge modes associated with a quantized thermal Hall conductance emerge, and a distinct spin-disordered phase appears at intermediate field strengths, below the polarized phase. However, since material realizations of Kitaev magnetism invariably display competing exchange interactions, the stability of these exotic phases with respect to additional couplings is a key issue. Here, we report a…
Chiral bosonic quantum spin liquid in the integer-spin Heisenberg-Kitaev model
Institut Néel, Université Grenoble Alpes and CNRS（内勒研究所，格勒诺布尔阿尔卑斯大学及法国国家科学研究中心）；Departamento de Física Teórica de la Materia Condensada, Condensed Matter Physics Center (IFIMAC) and Instituto Nicolás Cabrera, Universidad Autónoma de Madrid（凝聚态物理理论系，凝聚态物理中心（IFIMAC）及尼古拉斯·卡布雷拉研究所，马德里自治大学）
We discuss the finite-temperature phase diagram of the Heisenberg-Kitaev model on the hexagonal lattice, which has been suggested to describe the spin-orbital exchange of the effective spin-1/2 momenta in the Mott insulating Iridate Na2IrO3. At zero-temperature this model exhibits magnetically ordered states well beyond the isotropic Heisenberg limit as well as an extended gapless spin liquid phase around the highly anisotropic Kitaev limit. Using a pseudofermion functional renormalization group (RG) approach, we extract both the Curie-Weiss scale and the critical ordering scale (for the magne…
The exact solution of Kitaev's spin-$1/2$ honeycomb spin-liquid model has sparked an intense search for Mott insulators hosting bond-dependent Kitaev interactions, of which $\mathrm{Na}_{2}\mathrm{IrO}_{3}$ and $α-\mathrm{RuCl}_{3}$ are prime examples. Subsequently, it has been proposed that also spin-$1$ and spin-$3/2$ analogs of Kitaev interactions may occur in materials with strong spin-orbit coupling. As a minimal model to describe these Kitaev materials, we study the Heisenberg-Kitaev Hamiltonian in a consistent $1/S$ expansion, with $S$ being the spin size. We present a comprehensive stu…
We introduce a matrix-product state based method to efficiently obtain dynamical response functions for two-dimensional microscopic Hamiltonians, which we apply to different phases of the Kitaev-Heisenberg model. We find significant broad high energy features beyond spin-wave theory even in the ordered phases proximate to spin liquids. This includes the phase with zig-zag order of the type observed in $α$-RuCl$_3$, where we find high energy features like those seen in inelastic neutron scattering experiments. Our results provide an example of a natural path for proximate spin liquid features t…
We present a theoretical study of field-induced magnetic phases in the honeycomb Kitaev-Heisenberg model, which is believed to describe the essential physics of Mott insulators with strong spin-orbit coupling such as $A_2$IrO$_3$ and $α$-RuCl$_3$. We obtain a finite temperature phase diagram based on extensive Monte Carlo simulations and analytical calculations. We show that, while Zeeman coupling favors a symmetric non-coplanar magnetic order, thermal fluctuations enhances the stability of a collinear zigzag phase that breaks the rotational symmetry of the lattice. Our large-scale simulations…
We explore with exact diagonalization the propagation of a single hole in four magnetic phases of the t-J-like Kitaev-Heisenberg model on a honeycomb lattice: the Neel antiferromagnetic, stripe, zigzag and Kitaev spin-liquid phase. We find coherent propagation of spin-polaron quasiparticles in the antiferromagnetic phase by a similar mechanism as in the $t$-$J$ model for high-$T_c$ cuprates. In the stripe and zigzag phases clear quasiparticles features appear in spectral functions of those propagators where holes are created and annihilated on one sublattice, while they remain largely {\it hid…
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…
We study the extent of the spin liquid phases in the Kitaev-Heisenberg model using infinite Projected Entangled-Pair States tensor network ansatz wave functions directly in the thermodynamic limit. To assess the accuracy of the ansatz wave functions we perform benchmarks against exact results for the Kitaev model and find very good agreement for various observables. In the case of the Kitaev-Heisenberg model we confirm the existence of 6 different phases: Néel, stripy, ferromagnetic, zigzag and two spin liquid phases. We find finite extents for both spin liquid phases and discontinuous phase t…
Kitaev-Heisenberg model on the square-hexagon-dodecagon lattice
Institute for Advanced Studies in Basic Sciences (IASBS)（基础科学高等研究所）；Indian Institute of Technology Madras（马德拉斯印度理工学院）；The Institute of Mathematical Sciences（数学科学研究所）；Perimeter Institute for Theoretical Physics（理论物理珀米特研究所）；Donostia International Physics Center（多诺西亚国际物理中心）；Université Paris-Saclay（巴黎萨克雷大学）；Sorbonne Université（索邦大学）
We propose an accurate variational Monte Carlo method applicable in the presence of the strong spin-orbit interaction. Our variational wave functions consist of generalized Pfaffian-Slater wave functions that involve mixtures of singlet and triplet Cooper pairs, Jastrow-Gutzwiller-type pro- jections, and quantum number projections. The generalized wave functions allow any symmetry breaking states, ranging from magnetic and/or charge ordered states to superconducting states and their fluctuations, on equal footing without any ad hoc ansatz for variational wave functions. We de- tail our optimiz…
