We explore the phase diagram of a mixed-spin Kitaev model, where spin-1/2 and spin-3/2 ions form a staggered pattern on a honeycomb lattice. Enabled by an exact mapping of local conserved flux operators onto
Z2 gauge fields, we perform a parton mean-field theory for the model with a single-ion anisotropy. The phase diagram contains four types of quantum spin liquids distinguished by quadrupolar parameters. These analytical results are quantitatively confirmed by state-of-the-art DMRG simulations. We also explore the potential experimental realization of the mixed-spin Kitaev model in materials such as
Zr0.5Ru0.5Cl3. By developing a superexchange theory specifically for this mixed-spin system, we identify the conditions under which dominant Kitaev-like interactions emerge. Our findings highlight the importance of spin-orbital couplings and quadrupolar order parameters in stabilizing exotic phases, providing a foundation for exploring mixed-spin Kitaev magnets.
The Kitaev model, which hosts a quantum spin liquid (QSL) in the ground state, was originally defined on a two-dimensional honeycomb lattice, but can be straightforwardly extended to any tricoordinate lattices in any spatial dimensions. In particular, the three-dimensional (3D) extensions are of interest as a realization of 3D QSLs, and some materials like
β-Li
2IrO
3,
γ-Li
2IrO
3, and
β-ZnIrO
3 were proposed for the candidates. However, the phase diagrams of the models for those candidates have not been fully elucidated, mainly due to the limitation of numerical methods for 3D frustrated quantum spin systems. Here we study the Kitaev-Heisenberg model defined on a 3D hyperhoneycomb lattice, by using the pseudofermion functional renormalization group method. We show that the ground-state phase diagram contains the QSL phases in the vicinities of the pristine ferromagnetic and antiferromagnetic Kitaev models, in addition to four magnetically ordered phases, similar to the two-dimensional honeycomb case. Our results respect the four-sublattice symmetry inherent in the model, which was violated in the previous study. Moreover, we also show how the phase diagram changes with the anisotropy in the interactions. The results provide a reference for the search of the hyperhoneycomb Kitaev materials.
Abstract Large anisotropic exchange in 5 d and 4 d oxides and halides open the door to new types of magnetic ground states and excitations, inconceivable a decade ago. A prominent case is the Kitaev spin liquid, host of remarkable properties such as protection of quantum information and the emergence of Majorana fermions. Here we discuss the promise for spin-liquid behavior in the 4 d 5 honeycomb halide α -RuCl 3 . From advanced electronic-structure calculations, we find that the Kitaev interaction is ferromagnetic, as in 5 d 5 iridium honeycomb oxides, and indeed defines the largest superexchange energy scale. A ferromagnetic Kitaev coupling is also supported by a detailed analysis of the field-dependent magnetization. Using exact diagonalization and density-matrix renormalization group techniques for extended Kitaev-Heisenberg spin Hamiltonians, we find indications for a transition from zigzag order to a gapped spin liquid when applying magnetic field. Our results offer a unified picture on recent magnetic and spectroscopic measurements on this material and open new perspectives on the prospect of realizing quantum spin liquids in d 5 halides and oxides in general.
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 $\ensuremath{\alpha}\ensuremath{-}{\mathrm{RuCl}}_{3}$. We have utilized recently developed method based on spin coherent states that enabled us to resolve arbitrary spin patterns in the cluster ground states obtained by exact diagonalization. Global trends in the phase diagram are understood in combination with the analytical mappings of the Hamiltonian that uncover peculiar links to known models---Heisenberg, Ising, Kitaev, or compass models on the honeycomb lattice---or reveal entire manifolds of exact fluctuation-free ground states. Finally, our study can serve as a methodological example that can be applied to other spin models with complex bond-dependent non-Heisenberg interactions.
Motivated by recent experiments on $\ensuremath{\alpha}\ensuremath{-}{\mathrm{RuCl}}_{3}$, we investigate a possible quantum spin liquid ground state of the honeycomb-lattice spin model with bond-dependent interactions. We consider the $K\ensuremath{-}\mathrm{\ensuremath{\Gamma}}$ model, where
K and $\mathrm{\ensuremath{\Gamma}}$ represent the Kitaev and symmetric-anisotropic interactions between spin-1/2 moments on the honeycomb lattice. Using the infinite density matrix renormalization group, we provide compelling evidence for the existence of quantum spin liquid phases in an extended region of the phase diagram. In particular, we use transfer-matrix spectra to show the evolution of two-particle excitations with well-defined two-dimensional dispersion, which is a strong signature of a quantum spin liquid. These results are compared with predictions from Majorana mean-field theory and used to infer the quasiparticle excitation spectra. Further, we compute the dynamical structure factor using finite-size cluster computations and show that the results resemble the scattering continuum seen in neutron-scattering experiments on $\ensuremath{\alpha}\ensuremath{-}{\mathrm{RuCl}}_{3}$. We discuss these results in light of recent and future experiments.
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 general
S. We show that, similar to the
S=1/2 case, the phase diagram for higher
S contains the QSL phases in the vicinities of the pristine ferromagnetic and antiferromagnetic Kitaev models, in addition to four magnetically ordered phases. We find, however, that the QSL phases shrink rapidly with increasing
S, becoming vanishingly narrow for $S\ensuremath{\ge}2$, whereas the phase boundaries between the ordered phases remain almost intact. Our results provide a reference for the search for higher-
S Kitaev materials.