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Three-Dimensional Kitaev Spin Liquids

Kevin M. O'Brien

Published Jul 4, 2019• 0 citations
OpenAlex

Abstract

The formation of quantum spin liquids in frustrated magnets represents an exciting possibility due to the rather exotic features they harbor, including fractionalized excitations and emergent gauge fields. \nUnfortunately, they are notoriously difficult to study as there are often no good analytical methods available and quantum Monte Carlo simulations are hindered by the negative sign problem. \nThe Kitaev honeycomb model is a notable exception of a frustrated quantum model which is exactly solvable and which hosts a number of distinct quantum spin liquid ground states. \nAs such, it allows for a rare opportunity to study the physics of spin liquids with full analytical control. \n \nIn this thesis, we study the fractionalization of spin-1/2 moments into Majorana fermions and an emergent Z2 gauge field in a generalization of the Kitaev honeycomb model to a number of three-dimensional lattices. \nWhile the excitations of the gauge field are always gapped, the fermionic quasiparticles may exhibit a gapless dispersion, forming fully two-dimensional Fermi surfaces, symmetry protected nodal lines, or topological Weyl nodes. \nWe show that one can deduce rather general constraints on the possible gapless excitations by making use of an object called the projective symmetry group. \nIn doing so we provide a scheme for classifying the various gapless Kitaev spin liquids. \nA thorough analysis is carried out for a number of these spin liquids, primarily investigating the stability of the gapless modes and the novel features resulting from their sometimes non-trivial topology, as well as their effects on certain equal-time correlation functions.

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Classification of gapless Z2 spin liquids in three-dimensional Kitaev models

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Thermodynamics of Kitaev Spin Liquids

Tim Eschmann

In the field of frustrated magnetism, Kitaev models provide prototypical examples of exactly solvable quantum spin liquids, in which the spin degrees of freedom fractionalize into Majorana fermions coupled to an emergent Z2 gauge field. While the ground states of these models are already well understood as exhibiting different kinds of Majorana (semi)metals, it has still been an open task to achieve a detailed understanding of the thermodynamics, and, namely, the low-temperature ordering of the gauge field into different Z2 flux configurations. In this thesis, we investigate the thermodynamics of Kitaev systems in two and three spatial dimensions with sign-problem-free quantum Monte Carlo simulations. In a first study of elementary 3D Kitaev models, we verify that the ground state Z2 flux sectors of these systems are entirely determined by their elementary plaquette length – a result which shows the validity of Lieb’s theorem for lattice geometries which lack the geometric requirements for its proof. We closely investigate the low-temperature phase transition associated with gauge-ordering, which is a particular realization of an inverted Ising phase transition, as it occurs in general lattice Z2 gauge theories. Our results corroborate the understanding of this transition as separating different regimes in terms of vison-loop excitations, by showing a clear correlation between the critical temperature and the vison gap. We also introduce the concept of “gauge frustration”, which, for a particular 3D Kitaev model, leads to the suppression of the phase transition and a more complex physical behavior at low temperatures. A second quantum Monte Carlo study focuses on a generalized 2D Kitaev model on a five-coordinated lattice system. Here, the gauge ordering is accompanied by the spontaneous breaking of time-reversal symmetry, a scenario which not only allows for a variety of topological ground states, but also for the occurrence of a phase transition in two spatial dimensions. We show that this model exhibits such a transition at a particularly high temperature scale. Moreover, the system possesses a number of phases where the Z2 fluxes are only partially ordered.

•Jul 27, 2020•1 citation

Thermodynamic classification of three-dimensional Kitaev spin liquids

Tim Eschmann, Petr A. Mishchenko, Kevin M. O'Brien +5 more

In the field of frustrated magnetism, Kitaev models provide a unique framework to study the phenomena of spin fractionalization and emergent lattice gauge theories in two and three spatial dimensions. Their ground states are quantum spin liquids, which can typically be described in terms of a Majorana band structure and an ordering of the underlying ${\mathbb{Z}}_{2}$ gauge structure. Here we provide a comprehensive classification of the ``gauge physics'' of a family of elementary three-dimensional Kitaev models, discussing how their thermodynamics and ground state order depends on the underlying lattice geometry. Using large-scale, sign-free quantum Monte Carlo simulations we show that the ground-state gauge order can generally be understood in terms of the length of elementary plaquettes---a result which extends the applicability of Lieb's theorem to lattice geometries beyond its original scope. At finite temperatures, the proliferation of (gapped) vison excitations destroys the gauge order at a critical temperature scale, which we show to correlate with the size of vison gap for the family of three-dimensional Kitaev models. We also discuss two notable exceptions where the lattice structure gives rise to ``gauge frustration'' or intertwines the gauge ordering with time-reversal symmetry breaking. In a more general context, the thermodynamic gauge transitions in such 3D Kitaev models are one of the most natural settings for phase transitions beyond the standard Landau-Ginzburg-Wilson paradigm.

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Proximate Quantum Spin Liquids in Frustrated Magnets

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Frustrated magnetism provides a rich platform for realizing exotic quantum phases in condensed matter systems. Among these, quantum spin liquids (QSLs) are a particularly intriguing class of states that exhibit no magnetic ordering and preserve all symmetries down to zero temperature. Just as conventional magnets can be thought of as spin crystals,QSLs represent their liquid analogs. This thesis explores two broad types of QSLs in two-dimensional magnets, with a focus on their dynamic properties and the nature of transitions from conventional magnetic states into QSL phases. QSLs are topological phases that host fractionalized excitations known as spinons. In these states, mobile spinons are coupled to an emergent gauge field, forming a highly entangled phase of matter. The first part of this thesis focuses on Dirac spin liquids (DSLs), a class of QSLs where spinons exhibit a gapless Dirac dispersion. To study the dynamicsof these spin liquids beyond leading-order mean-field theory, we develop a novel large-N fermionic limit of gapless spinons. In this limit, all gauge excitations are suppressed, and the leading-order corrections instead arise from order parameter fluctuations, which may condense and drive transitions into symmetry-broken phases from the parent DSL. Incorporating random phase approximation (RPA) corrections to the spin susceptibility, we find that sharp, spin-wave–like modes are recovered in the excitation spectrum. This methodology successfully captures characteristic features of the dynamics near phase transitions and in weakly symmetry-broken phases proximate to a DSL. We apply this approach to microscopic models, including the J1-J2 XXZ model on the triangular lattice and the J1-J3 XXZ model on the honeycomb lattice. These models closely represent a wide range of frustrated materials, such as triangular and honeycomb cobaltates and triangular ytterbium compounds. Our theoretical predictions show excellent agreement with experimentally measured inelastic neutron scattering spectra from these materials. Gapless spinons can also sometimes become gapped through chiral symmetry breaking, leading to the formation of a chiral spin liquid (CSL). The CSL is an archetypal bosonic realization of a fractional quantum Hall (FQH) state at half-filling, and has been proposed as a time-reversal–breaking ground state in a variety of frustrated spin models. The second part of this thesis addresses the intriguing possibility of realizing a CSL through the "melting" of a chiral spin crystal—a conventional magnet with non-coplanar ordering. Such a transition offers a physically appealing analogue to the melting of a Wigner crystal into a fermionic FQH liquid. Focusing on the kagome lattice, where chiral interactions are knownto stabilize a CSL ground state, we study the effects of additional long-range Heisenberg interactions and demonstrate a phase transition into a non-coplanar octahedral magnetic order. To describe the universal class of transition between a CSL and a non-coplanar anti-ferromagnetic order, we then develop a novel Chern-Simons–matter field theory framework, constrained by symmetry principles and symmetry fractionalization patterns. This thesis thus provides new insights into the dynamical signatures and phase transitions of quantum spin liquids, offering a bridge between theoretical models and experimental observations in frustrated magnetic systems.

•Oct 1, 2025•0 citations

Crystalline Kitaev spin liquids

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Three-dimensional Kitaev models -- generalizations of the well known exactly solvable Kitaev honeycomb model -- exhibit a rich variety of quantum spin liquid phases. Their fractionalized excitations are Majorana fermions that may form topological band structures. These can be enriched by lattice symmetries, as shown in the present work. In particular, the authors propose two new instances of Kitaev spin liquids that exhibit nodal chains and 3D Dirac nodes in the bulk. Such crystalline Kitaev spin liquids are direct generalizations of crystalline topological insulators, albeit in an interacting spin system. A potential material realization in metal-organic frameworks is also discussed.

arXiv:1707.00898•Physical review. B./Physical review. B•Oct 6, 2017•38 citations
The formation of quantum spin liquids in frustrated magnets represents an exciting possibility due to the rather exotic features they harbor, including fractionalized excitations and emergent gauge fields. \nUnfortunately, they are notoriously difficult to study as there are often no good analytical methods available and quantum Monte Carlo simulations are hindered by the negative sign problem. \nThe Kitaev honeycomb model is a notable exception of a frustrated quantum model which is exactly solvable and which hosts a number of distinct quantum spin liquid ground states. \nAs such, it allows for a rare opportunity to study the physics of spin liquids with full analytical control. \n \nIn this thesis, we study the fractionalization of spin-1/2 moments into Majorana fermions and an emergent Z2 gauge field in a generalization of the Kitaev honeycomb model to a number of three-dimensional lattices. \nWhile the excitations of the gauge field are always gapped, the fermionic quasiparticles may exhibit a gapless dispersion, forming fully two-dimensional Fermi surfaces, symmetry protected nodal lines, or topological Weyl nodes. \nWe show that one can deduce rather general constraints on the possible gapless excitations by making use of an object called the projective symmetry group. \nIn doing so we provide a scheme for classifying the various gapless Kitaev spin liquids. \nA thorough analysis is carried out for a number of these spin liquids, primarily investigating the stability of the gapless modes and the novel features resulting from their sometimes non-trivial topology, as well as their effects on certain equal-time correlation functions.
In quantum magnetism, Kitaev's honeycomb model is well known for its gapped and gapless spin liquid ground states in which the elementary spin degrees of freedom fractionalize into Majorana fermions and a Z2{\mathbb{Z}}_{2}Z2​ gauge field. In this paper, the authors discuss the gapless spin liquids arising in three-dimensional Kitaev models and show that the gapless Majorana fermions form metallic states which, depending on the underlying lattice structure, exhibit Fermi surfaces, nodal lines, or Weyl points.
The fractionalization of quantum numbers in interacting quantum many-body systems is a central motif in condensed-matter physics with prominent examples including the fractionalization of the electron in quantum Hall liquids or the emergence of magnetic monopoles in spin-ice materials. Here, we discuss the fractionalization of magnetic moments in three-dimensional Kitaev models into Majorana fermions (and a Z_{2} gauge field) and their emergent collective behavior. We analytically demonstrate that the Majorana fermions form a Weyl superconductor for the Kitaev model on the recently synthesized hyperhoneycomb structure of β-Li_{2}IrO_{3} when applying a magnetic field. We characterize the topologically protected bulk and surface features of this state, which we dub a Weyl spin liquid, including thermodynamic and transport signatures.
In the field of frustrated magnetism, Kitaev models provide prototypical examples of exactly solvable quantum spin liquids, in which the spin degrees of freedom fractionalize into Majorana fermions coupled to an emergent Z2 gauge field. While the ground states of these models are already well understood as exhibiting different kinds of Majorana (semi)metals, it has still been an open task to achieve a detailed understanding of the thermodynamics, and, namely, the low-temperature ordering of the gauge field into different Z2 flux configurations. In this thesis, we investigate the thermodynamics of Kitaev systems in two and three spatial dimensions with sign-problem-free quantum Monte Carlo simulations. In a first study of elementary 3D Kitaev models, we verify that the ground state Z2 flux sectors of these systems are entirely determined by their elementary plaquette length – a result which shows the validity of Lieb’s theorem for lattice geometries which lack the geometric requirements for its proof. We closely investigate the low-temperature phase transition associated with gauge-ordering, which is a particular realization of an inverted Ising phase transition, as it occurs in general lattice Z2 gauge theories. Our results corroborate the understanding of this transition as separating different regimes in terms of vison-loop excitations, by showing a clear correlation between the critical temperature and the vison gap. We also introduce the concept of “gauge frustration”, which, for a particular 3D Kitaev model, leads to the suppression of the phase transition and a more complex physical behavior at low temperatures. A second quantum Monte Carlo study focuses on a generalized 2D Kitaev model on a five-coordinated lattice system. Here, the gauge ordering is accompanied by the spontaneous breaking of time-reversal symmetry, a scenario which not only allows for a variety of topological ground states, but also for the occurrence of a phase transition in two spatial dimensions. We show that this model exhibits such a transition at a particularly high temperature scale. Moreover, the system possesses a number of phases where the Z2 fluxes are only partially ordered.
In the field of frustrated magnetism, Kitaev models provide a unique framework to study the phenomena of spin fractionalization and emergent lattice gauge theories in two and three spatial dimensions. Their ground states are quantum spin liquids, which can typically be described in terms of a Majorana band structure and an ordering of the underlying Z2{\mathbb{Z}}_{2}Z2​ gauge structure. Here we provide a comprehensive classification of the ``gauge physics'' of a family of elementary three-dimensional Kitaev models, discussing how their thermodynamics and ground state order depends on the underlying lattice geometry. Using large-scale, sign-free quantum Monte Carlo simulations we show that the ground-state gauge order can generally be understood in terms of the length of elementary plaquettes---a result which extends the applicability of Lieb's theorem to lattice geometries beyond its original scope. At finite temperatures, the proliferation of (gapped) vison excitations destroys the gauge order at a critical temperature scale, which we show to correlate with the size of vison gap for the family of three-dimensional Kitaev models. We also discuss two notable exceptions where the lattice structure gives rise to ``gauge frustration'' or intertwines the gauge ordering with time-reversal symmetry breaking. In a more general context, the thermodynamic gauge transitions in such 3D Kitaev models are one of the most natural settings for phase transitions beyond the standard Landau-Ginzburg-Wilson paradigm.
Frustrated magnetism provides a rich platform for realizing exotic quantum phases in condensed matter systems. Among these, quantum spin liquids (QSLs) are a particularly intriguing class of states that exhibit no magnetic ordering and preserve all symmetries down to zero temperature. Just as conventional magnets can be thought of as spin crystals,QSLs represent their liquid analogs. This thesis explores two broad types of QSLs in two-dimensional magnets, with a focus on their dynamic properties and the nature of transitions from conventional magnetic states into QSL phases. QSLs are topological phases that host fractionalized excitations known as spinons. In these states, mobile spinons are coupled to an emergent gauge field, forming a highly entangled phase of matter. The first part of this thesis focuses on Dirac spin liquids (DSLs), a class of QSLs where spinons exhibit a gapless Dirac dispersion. To study the dynamicsof these spin liquids beyond leading-order mean-field theory, we develop a novel large-N fermionic limit of gapless spinons. In this limit, all gauge excitations are suppressed, and the leading-order corrections instead arise from order parameter fluctuations, which may condense and drive transitions into symmetry-broken phases from the parent DSL. Incorporating random phase approximation (RPA) corrections to the spin susceptibility, we find that sharp, spin-wave–like modes are recovered in the excitation spectrum. This methodology successfully captures characteristic features of the dynamics near phase transitions and in weakly symmetry-broken phases proximate to a DSL. We apply this approach to microscopic models, including the J1-J2 XXZ model on the triangular lattice and the J1-J3 XXZ model on the honeycomb lattice. These models closely represent a wide range of frustrated materials, such as triangular and honeycomb cobaltates and triangular ytterbium compounds. Our theoretical predictions show excellent agreement with experimentally measured inelastic neutron scattering spectra from these materials. Gapless spinons can also sometimes become gapped through chiral symmetry breaking, leading to the formation of a chiral spin liquid (CSL). The CSL is an archetypal bosonic realization of a fractional quantum Hall (FQH) state at half-filling, and has been proposed as a time-reversal–breaking ground state in a variety of frustrated spin models. The second part of this thesis addresses the intriguing possibility of realizing a CSL through the "melting" of a chiral spin crystal—a conventional magnet with non-coplanar ordering. Such a transition offers a physically appealing analogue to the melting of a Wigner crystal into a fermionic FQH liquid. Focusing on the kagome lattice, where chiral interactions are knownto stabilize a CSL ground state, we study the effects of additional long-range Heisenberg interactions and demonstrate a phase transition into a non-coplanar octahedral magnetic order. To describe the universal class of transition between a CSL and a non-coplanar anti-ferromagnetic order, we then develop a novel Chern-Simons–matter field theory framework, constrained by symmetry principles and symmetry fractionalization patterns. This thesis thus provides new insights into the dynamical signatures and phase transitions of quantum spin liquids, offering a bridge between theoretical models and experimental observations in frustrated magnetic systems.
Three-dimensional Kitaev models -- generalizations of the well known exactly solvable Kitaev honeycomb model -- exhibit a rich variety of quantum spin liquid phases. Their fractionalized excitations are Majorana fermions that may form topological band structures. These can be enriched by lattice symmetries, as shown in the present work. In particular, the authors propose two new instances of Kitaev spin liquids that exhibit nodal chains and 3D Dirac nodes in the bulk. Such crystalline Kitaev spin liquids are direct generalizations of crystalline topological insulators, albeit in an interacting spin system. A potential material realization in metal-organic frameworks is also discussed.