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arXiv:2004.14415 · Physical Review Research

Revealing the phase diagram of Kitaev materials by machine learning: Cooperation and competition between spin liquids

Ke Liu, Nicolas Sadoune, Nihal Rao, Jonas Greitemann, Lode Pollet

Published Apr 5, 2021• 32 citations
arXivHTMLPDF

Abstract

Kitaev materials are promising materials for hosting quantum spin liquids and investigating the interplay of topological and symmetry-breaking phases.We use an unsupervised and interpretable machine-learning method, the tensorial-kernel support vector machine, to study the honeycomb Kitaev-model in a magnetic field.Our machine learns the global classical phase diagram and the associated analytical order parameters, including several distinct spin liquids, two exotic S 3 magnets, and two modulated S 3 × Z 3 magnets.We find that the extension of Kitaev spin liquids and a field-induced suppression of magnetic order already occur in the large-S limit, implying that critical parts of the physics of Kitaev materials can be understood at the classical level.Moreover, the two S 3 × Z 3 orders are induced by competition between Kitaev and spin liquids and feature a different type of spin-lattice entangled modulation, which requires a matrix description instead of scalar phase factors.Our work provides a direct instance of a machine detecting new phases and paves the way towards the development of automated tools to explore unsolved problems in many-body physics.

DOI
10.1103/physrevresearch.3.023016

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Kitaev materials are promising materials for hosting quantum spin liquids and investigating the interplay of topological and symmetry-breaking phases.We use an unsupervised and interpretable machine-learning method, the tensorial-kernel support vector machine, to study the honeycomb Kitaev-model in a magnetic field.Our machine learns the global classical phase diagram and the associated analytical order parameters, including several distinct spin liquids, two exotic S 3 magnets, and two modulated S 3 × Z 3 magnets.We find that the extension of Kitaev spin liquids and a field-induced suppression of magnetic order already occur in the large-S limit, implying that critical parts of the physics of Kitaev materials can be understood at the classical level.Moreover, the two S 3 × Z 3 orders are induced by competition between Kitaev and spin liquids and feature a different type of spin-lattice entangled modulation, which requires a matrix description instead of scalar phase factors.Our work provides a direct instance of a machine detecting new phases and paves the way towards the development of automated tools to explore unsolved problems in many-body physics.
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Machine-learning techniques have proved successful in identifying ordered phases of matter. However, it remains an open question how far they can contribute to the understanding of phases without broken symmetry, such as spin liquids. Here we demonstrate how a machine-learning approach can automatically learn the intricate phase diagram of a classical frustrated spin model. The method we employ is a support vector machine equipped with a tensorial kernel and a spectral graph analysis which admits its applicability in an effectively unsupervised context. Thanks to the interpretability of the machine we are able to infer, in closed form, both order parameter tensors of phases with broken symmetry, and the local constraints which signal an emergent gauge structure, and so characterize classical spin liquids. The method is applied to the classical XXZ model on the pyrochlore lattice where it distinguishes, among others, between a hidden biaxial spin-nematic phase and several different classical spin liquids. The results are in full agreement with a previous analysis by Taillefumier et al. [Phys. Rev. X 7, 041057 (2017)], but go further by providing a systematic hierarchy between disordered regimes, and establishing the physical relevance of the susceptibilities associated with the local constraints. Our work paves the way for the search of new orders and spin liquids in generic frustrated magnets.
Kitaev magnets have emerged as pivotal systems for investigating frustrated magnetism, providing a unique platform to explore quantum phases governed by the interplay between bond-dependent anisotropy and external magnetic fields. However, the quantum phase diagrams, particularly near the dominant antiferromagnetic Kitaev regime, remain puzzling despite extensive studies. In this work, we perform unbiased exact diagonalization calculations of the Kitaev-ΓΓΓ model in a [111] magnetic field on a C6C_{6}C6​-symmetric 24-site cluster. By calculating the Z2\mathbb{Z}_2Z2​ flux density and the topological entanglement entropy, we reveal multiple phase transitions and identify signatures of both scalar and vector chiral orders in the intermediate-field regime between the Kitaev spin liquid and the polarized phase. As the negative ΓΓΓ interaction increases, we discover a proximate quantum spin liquid featured by a three-peak specific heat and a spin-flop phase at a moderate magnetic field. Our findings provide insight into the field-induced intermediate phases in the antiferromagnetic Kitaev model and pave the way for the hunt for emergent phases in real materials.
We use tensor-network methods and high-order linked-cluster expansions to explore the quantum phase diagram of the antiferromagnetic Kitaev honeycomb model in a magnetic field for general spin S values. Tensor network calculations for the pure Kitaev model confirm the absence of fluxes and spin-spin correlations beyond nearest neighbors, while revealing discrete orientational symmetry breaking for S ∈ 1, 3/2, 2, consistent with the semiclassical limit. An intermediate region between Kitaev phases and the high-field polarized phase is identified for all considered spin values, showing a sequence of potential phases characterized by distinct local magnetization patterns while the total magnetization increases smoothly as a function of the field. Linked-cluster expansions for the high-field zero-momentum gap and spectral weight indicate a quantum critical breakdown of the polarized phase, suggesting exotic physics at intermediate Kitaev couplings. The antiferromagnetic spin 1/2 Kitaev model is known to have an intermediate phase under a magnetic field before transitioning to a fully polarized state. However, the nature of this phase for higher spins remained unclear. This paper explores the quantum phase diagram of the antiferromagnetic Kitaev honeycomb model in a magnetic field using tensor-network methods and high-order linked cluster expansions, uncovering an intermediate phase with distinct local magnetization patterns across different spin values.
Quantum spin liquids have fascinated condensed matter physicists for decades because of their unusual properties such as spin fractionalization and long-range entanglement. Unlike conventional symmetry breaking, the topological order underlying quantum spin liquids is hard to detect experimentally. Even theoretical models are scarce for which the ground state is established to be a quantum spin liquid. The Kitaev honeycomb model and its generalizations to other tricoordinated lattices are chief counterexamples—they are exactly solvable, harbor a variety of quantum spin liquid phases, and are also relevant for certain transition metal compounds including the polymorphs of (Na,Li) 2 IrO 3 iridates and RuCl 3 . In this review, we give an overview of the rich physics of the Kitaev model, including two-dimensional and three-dimensional fractionalization as well as dynamic correlations and behavior at finite temperatures. We discuss the different materials and argue how the Kitaev model physics can be relevant even though most materials show magnetic ordering at low temperatures.
The exact solution of Kitaev's spin-1/21/21/2 honeycomb spin-liquid model has sparked an intense search for Mott insulators hosting bond-dependent Kitaev interactions, of which Na2IrO3{\mathrm{Na}}_{2}{\mathrm{IrO}}_{3}Na2​IrO3​ and $\ensuremath{\alpha}\text{\ensuremath{-}}\mathrm{Ru}{\mathrm{Cl}}_{3}$ are prime examples. Subsequently, it has been proposed that also spin-1 and spin-3/23/23/2 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/S1/S1/S expansion, with SSS being the spin size. We present a comprehensive study of this model in the presence of an external magnetic field applied along two different directions, [001] and [111], for which an intricate classical phase diagram has been reported. In both settings, we employ spin-wave theory in a number of ordered phases to compute phase boundaries at the next-to-leading order in 1/S1/S1/S and show that quantum corrections substantially modify the classical phase diagram. More broadly, our work presents a consistent route to investigate the leading quantum corrections in spin models that break spin-rotational symmetry.