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arXiv:2008.10972 · Physical review. B./Physical review. B

Comprehensive study of the global phase diagram of the J−K−Γ model on a triangular lattice

Shi Wang, Zhongyuan Qi, Bin Xi, Wei Wang, Shun-Li Yu, Jian-Xin Li

Published Feb 4, 2021• 22 citations
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Abstract

The celebrated Kitaev honeycomb model provides an analytically tractable example with an exact quantum spin liquid ground state. While in real materials, other types of interactions besides the Kitaev coupling ($K$) are present, such as Heisenberg ($J$) and symmetric off-diagonal ($\mathrm{\ensuremath{\Gamma}}$) terms, these interactions can also be generalized to a triangular lattice. Here, we carry out a comprehensive study of the $J\ensuremath{-}K\ensuremath{-}\mathrm{\ensuremath{\Gamma}}$ model on a triangular lattice covering the whole parameter region, using a combination of exact diagonalization, classical Monte Carlo, and analytic methods, with an emphasis on the effects of the $\mathrm{\ensuremath{\Gamma}}$ term. In the HK limit ($\mathrm{\ensuremath{\Gamma}}=0$), we find five quantum phases which are quite similar to their classical counterparts. Among them, stripe-A and dual N\'eel phases are robust against the introduction of the $\mathrm{\ensuremath{\Gamma}}$ term, in particular, stripe A extends to the region connecting $K=\ensuremath{-}1$ and $K=1$ for $\mathrm{\ensuremath{\Gamma}}<0$. Though the ${120}^{\ensuremath{\circ}}$ N\'eel phase also extends to a finite $\mathrm{\ensuremath{\Gamma}}$, its region is largely reduced compared to the previous classical result. Interestingly, the ferromagnetic (dubbed FM-A) and stripe-B phases are unstable in response to an infinitesimal $\mathrm{\ensuremath{\Gamma}}$ interaction. Moreover, we find five additional phases for $\mathrm{\ensuremath{\Gamma}}\ensuremath{\ne}0$ which are elaborated by both the quantum and classical numerical methods. Part of the parameter space previously identified as the ${120}^{\ensuremath{\circ}}$ N\'eel phase in the classical study is found to give way to the modulated stripe phase. Depending on the sign of the $\mathrm{\ensuremath{\Gamma}}$ term, the FM-A phase transits into FM-B ($\mathrm{\ensuremath{\Gamma}}>0$) and FM-C ($\mathrm{\ensuremath{\Gamma}}<0$) phases with different spin orientations. Similarly, the stripe-B phase transits into stripe-C ($\mathrm{\ensuremath{\Gamma}}>0$) and stripe-A ($\mathrm{\ensuremath{\Gamma}}<0$) phases. Around the positive $\mathrm{\ensuremath{\Gamma}}$ point, due to the interplay of the Heisenberg, Kitaev, and $\mathrm{\ensuremath{\Gamma}}$ interactions, we find a possible quantum spin liquid in a noticeable region with a continuum in spin excitations.

DOI
10.1103/physrevb.103.054410

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The celebrated Kitaev honeycomb model provides an analytically tractable example with an exact quantum spin liquid ground state. While in real materials, other types of interactions besides the Kitaev coupling (KKK) are present, such as Heisenberg (JJJ) and symmetric off-diagonal (\ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ) terms, these interactions can also be generalized to a triangular lattice. Here, we carry out a comprehensive study of the J\ensuremath−K\ensuremath−\ensuremathΓJ\ensuremath{-}K\ensuremath{-}\mathrm{\ensuremath{\Gamma}}J\ensuremath−K\ensuremath−\ensuremathΓ model on a triangular lattice covering the whole parameter region, using a combination of exact diagonalization, classical Monte Carlo, and analytic methods, with an emphasis on the effects of the \ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ term. In the HK limit (\ensuremathΓ=0\mathrm{\ensuremath{\Gamma}}=0\ensuremathΓ=0), we find five quantum phases which are quite similar to their classical counterparts. Among them, stripe-A and dual N'eel phases are robust against the introduction of the \ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ term, in particular, stripe A extends to the region connecting K=\ensuremath−1K=\ensuremath{-}1K=\ensuremath−1 and K=1K=1K=1 for \ensuremathΓ<0\mathrm{\ensuremath{\Gamma}}<0\ensuremathΓ<0. Though the 120\ensuremath∘{120}^{\ensuremath{\circ}}120\ensuremath∘ N'eel phase also extends to a finite \ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ, its region is largely reduced compared to the previous classical result. Interestingly, the ferromagnetic (dubbed FM-A) and stripe-B phases are unstable in response to an infinitesimal \ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ interaction. Moreover, we find five additional phases for \ensuremathΓ\ensuremath≠0\mathrm{\ensuremath{\Gamma}}\ensuremath{\ne}0\ensuremathΓ\ensuremath=0 which are elaborated by both the quantum and classical numerical methods. Part of the parameter space previously identified as the 120\ensuremath∘{120}^{\ensuremath{\circ}}120\ensuremath∘ N'eel phase in the classical study is found to give way to the modulated stripe phase. Depending on the sign of the \ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ term, the FM-A phase transits into FM-B (\ensuremathΓ>0\mathrm{\ensuremath{\Gamma}}>0\ensuremathΓ>0) and FM-C (\ensuremathΓ<0\mathrm{\ensuremath{\Gamma}}<0\ensuremathΓ<0) phases with different spin orientations. Similarly, the stripe-B phase transits into stripe-C (\ensuremathΓ>0\mathrm{\ensuremath{\Gamma}}>0\ensuremathΓ>0) and stripe-A (\ensuremathΓ<0\mathrm{\ensuremath{\Gamma}}<0\ensuremathΓ<0) phases. Around the positive \ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ point, due to the interplay of the Heisenberg, Kitaev, and \ensuremathΓ\mathrm{\ensuremath{\Gamma}}\ensuremathΓ interactions, we find a possible quantum spin liquid in a noticeable region with a continuum in spin excitations.
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 of how the phases in the two lattices merge with each other when geometry changes from the 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 ground state phase diagram of this model with classical spins by using the Luttinger-Tisza method and classical Monte Carlo simulation. In addition to known phases in the honeycomb and triangular lattices, we find coexisting phases consisting of the known phases. From the exact diagonalization and density-matrix renormalization-group calculations for the model with quantum spins, we find phases similar to the classical results, implying a small effect of quantum fluctuation on the phase diagram.
We explore the phase diagram of the Kitaev-Heisenberg model with nearest neighbor interactions on the honeycomb lattice using the exact diagonalization of finite systems combined with the cluster mean field approximation, and supplemented by the insights from analytic approaches: the linear spin-wave and second-order perturbation theories. This study confirms that by varying the balance between the Heisenberg and Kitaev term, frustrated exchange interactions stabilize in this model either one of four phases with magnetic long range order: N\'eel phase, ferromagnetic phase, and two other phases with coexisting antiferromagnetic and ferromagnetic bonds, zigzag and stripy phase, or one of two distinct spin-liquid phases. Out of these latter disordered phases, the one with ferromagnetic Kitaev interactions has a substantially broader range of stability as the neighboring competing ordered phases, ferromagnetic and stripy, have very weak quantum fluctuations. Focusing on the quantum spin-liquid phases, we study spatial spin correlations and dynamic spin structure factor of the model by the exact diagonalization technique, and discuss the evolution of gapped low-energy spin response across the quantum phase transitions between the disordered spin liquid and phases with long range magnetic order.
Motivated by a recent experiment on the rare-earth material YbMgGaO4{\mathrm{YbMgGaO}}_{4}YbMgGaO4​ [Y. Li et al., Phys. Rev. Lett. 115, 167203 (2015)], which found that the ground state of YbMgGaO4{\mathrm{YbMgGaO}}_{4}YbMgGaO4​ is a quantum spin liquid, we study the ground-state phase diagram of an anisotropic spin-1/21/21/2 model that was proposed to describe YbMgGaO4{\mathrm{YbMgGaO}}_{4}YbMgGaO4​. Using the density matrix renormalization-group method in combination with the exact-diagonalization method, we calculate a variety of physical quantities, including the ground-state energy, the fidelity, the entanglement entropy and spin-spin correlation functions. Our studies show that in the quantum phase diagram, there is a ${120}^{\ensuremath{\circ}}$ phase and two distinct stripe phases. The transitions from the two stripe phases to the ${120}^{\ensuremath{\circ}}$ phase are of the first order. However, the transition between the two stripe phases is not of the first order, which is different from its classical counterpart. Additionally, we find no evidence for a quantum spin liquid in this model. Our results suggest that additional terms may also be important to model the material YbMgGaO4{\mathrm{YbMgGaO}}_{4}YbMgGaO4​. These findings will stimulate further experimental and theoretical works in understanding the quantum spin-liquid ground state in YbMgGaO4{\mathrm{YbMgGaO}}_{4}YbMgGaO4​.
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{\mathrm{Na}}_{2}{\mathrm{IrO}}_{3}Na2​IrO3​ 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.
We use a recently developed interpretable and unsupervised machine-learning method, the tensorial kernel support vector machine, to investigate the low-temperature classical phase diagram of a generalized Heisenberg-Kitaev-$\mathrm{\ensuremath{\Gamma}}$ ($J\text{\ensuremath{-}}K\text{\ensuremath{-}}\mathrm{\ensuremath{\Gamma}}$) 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 ${S}_{3}\ifmmode\times\else\texttimes\fi{}{Z}_{3}$ phase, which emerges through the competition between the Kitaev and $\mathrm{\ensuremath{\Gamma}}$ spin liquids, against Heisenberg interactions. The results imply that, in the restricted parameter space spanned by the three primary exchange interactions---JJJ, KKK, and $\mathrm{\ensuremath{\Gamma}}$, the representative Kitaev material $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$ lies close to the boundaries of several phases, including a simple ferromagnet, the unconventional ${S}_{3}\ifmmode\times\else\texttimes\fi{}{Z}_{3}$, and nested zigzag-stripy magnets. A zigzag order is stabilized by a finite ${\mathrm{\ensuremath{\Gamma}}}^{\ensuremath{'}}$ and/or J3{J}_{3}J3​ term, whereas the four magnetic orders may compete in particular if ${\mathrm{\ensuremath{\Gamma}}}^{\ensuremath{'}}$ is antiferromagnetic.
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 βββ-Li2_{2}2​IrO3_{3}3​, γγγ-Li2_22​IrO3_33​, and βββ-ZnIrO3_{3}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.