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arXiv:1502.03063 · Physical Review B

Physical states and finite-size effects in Kitaev's honeycomb model: Bond disorder, spin excitations, and NMR line shape

Fabian Zschocke, Matthias Vojta C

Published Jul 6, 2015• 85 citations
arXivHTMLPDF

Abstract

Kitaev's compass model on the honeycomb lattice realizes a spin liquid whose emergent excitations are dispersive Majorana fermions and static ${\mathrm{Z}}_{2}$ gauge fluxes. We discuss the proper selection of physical states for finite-size simulations in the Majorana representation, based on a recent paper by F. L. Pedrocchi, S. Chesi, and D. Loss [Phys. Rev. B 84, 165414 (2011)]. Certain physical observables acquire large finite-size effects, in particular if the ground state is not fermion-free, which we prove to generally apply to the system in the gapless phase and with periodic boundary conditions. To illustrate our findings, we compute the static and dynamic spin susceptibilities for finite-size systems. Specifically, we consider random-bond disorder (which preserves the solubility of the model), calculate the distribution of local flux gaps, and extract the NMR line shape. We also predict a transition to a random-flux state with increasing disorder.

DOI
10.1103/physrevb.92.014403

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Kitaev's model of spins interacting on a honeycomb lattice describes a quantum spin liquid, where an emergent static ${\mathbb{Z}}_{2}$ gauge field is coupled to Majorana fermions. In the presence of an external magnetic field and for a range of interaction strengths, the system behaves as a gapped, non-Abelian quantum spin liquid. In this phase, the vortex excitations of the emergent ${\mathbb{Z}}_{2}$ gauge field have Majorana zero modes bound to them. Motivated by recent experimental progress in measuring and characterizing real materials that could exhibit spin-liquid behavior, we analytically calculate the dynamical spin structure factor in the non-Abelian phase of the Kitaev's honeycomb model. In particular, we treat the case of quenched disorder in the vortex configurations. Our calculations reveal a peak in the low-energy dynamical structure factor that is a signature of the spin-liquid behavior. We map the effective Hamiltonian to that of a chiral $p$-wave superconductor by using the Jordan-Wigner transformation. Subsequently, we analytically calculate the wave functions of the Majorana zero modes, the energy splitting for finite separation of the vortices and, finally, the dynamical structure factor in presence of quenched disorder.

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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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The Kitaev model on a honeycomb lattice with bond-dependent Ising interactions offers an exactly solvable model of a quantum spin liquid (QSL) with fractionalized excitations: gapped ${Z}_{2}$ fluxes and gapless linearly dispersing Majorana fermions in the isotropic limit (${K}_{x}={K}_{y}={K}_{z}$). We explore the phase diagram along two axes, an external magnetic field $h$, applied out of plane of the honeycomb, and anisotropic interactions ${K}_{z}$ larger than the other two (${K}_{x}={K}_{y}\ensuremath{\equiv}K$). For ${K}_{z}/K\ensuremath{\gg}2$ and $h=0$, the matter Majorana fermions have the largest gap, and the system is described by a gapped ${Z}_{2}$ toric code. One of the central questions we address is whether the fractionalized excitations in the different phases have sharp signatures that can be detected in experiments. We show that while the response to single-spin excitations is broad, the spectral function corresponding to two-spin excitations across a bond has sharp signatures that can be attributed to specific anyons. In the toric code regime, the $\ensuremath{\epsilon}=e\ifmmode\times\else\texttimes\fi{}m$ fermion, formed from the bosonic Ising electric ($e$) and magnetic ($m$) charges, disperses along a specific one-dimensional direction that provides a fingerprint of fractionalization. At lower ${K}_{z}$ in the center of the Abelian phase, in a regime we dub the primordial fractionalized regime, the field generates a hybridization between the $\ensuremath{\epsilon}$ fermion and the Majorana matter fermion, resulting in a $\ensuremath{\psi}$ fermion which too has a distinct quasi-one-dimensional dispersion. All the other phases in the field-anisotropy plane are naturally obtained from this primordial soup. These highly constrained fractonlike dispersions can be observable by inelastic light and neutron scattering, thereby providing ``smoking gun'' signatures of fractionalization in the QSL phase. Our analysis is based on calculations of susceptibilities, topological entanglement entropy, and excitation dynamics, obtained using exact diagonalization and density matrix renormalization group, and supported by perturbation theory.

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Majorana dynamical mean-field study of spin dynamics at finite temperatures in the honeycomb Kitaev model

Junki Yoshitake, Joji Nasu, Yasuyuki Kato +1 more

A prominent feature of quantum spin liquids is fractionalization of the spin degree of freedom. Fractionalized excitations have their own dynamics in different energy scales, and hence, affect finite-temperature ($T$) properties in a peculiar manner even in the paramagnetic state harboring the quantum spin liquid state. We here present a comprehensive theoretical study of the spin dynamics in a wide $T$ range for the Kitaev model on a honeycomb lattice, whose ground state is a quantum spin liquid. In this model, the fractionalization occurs to break up quantum spins into itinerant matter fermions and localized ${Z}_{2}$ fluxes, which results in two crossovers at very different $T$ scales. Extending the previous study for the isotropic coupling case [J. Yoshitake, J. Nasu, and Y. Motome, Phys. Rev. Lett. 117, 157203 (2016)], we calculate the dynamical spin structure factor $S(\mathbf{q},\ensuremath{\omega})$, the NMR relaxation rate $1/{T}_{1}$, and the magnetic susceptibility $\ensuremath{\chi}$ while changing the anisotropy in the exchange coupling constants, by using the dynamical mean-field theory based on a Majorana fermion representation. We describe the details of the methodology including the continuous-time quantum Monte Carlo method for computing dynamical spin correlations and the maximum entropy method for analytic continuation. We confirm that the combined method provides accurate results in a wide $T$ range including the region where the spins are fractionalized. We find that also in the anisotropic cases the system exhibits peculiar behaviors below the high-$T$ crossover whose temperature is comparable to the average of the exchange constants: $S(\mathbf{q},\ensuremath{\omega})$ shows an inelastic response at the energy scale of the averaged exchange constant, $1/{T}_{1}$ continues to grow even though the equal-time spin correlations are saturated and almost $T$ independent, and $\ensuremath{\chi}$ deviates from the Curie-Weiss behavior. In particular, when the exchange interaction in one direction is stronger than the other two, the dynamical quantities exhibit qualitatively different $T$ dependences from the isotropic case at low $T$, reflecting the opposite parity between the flux-free ground state and the flux-excited state, and a larger energy cost for flipping a spin in the strong interaction direction. On the other hand, when the exchange anisotropy is in the opposite way, the results are qualitatively similar to those in the isotropic case. All these behaviors manifest the spin fractionalization in the paramagnetic region. Among them, the dichotomy between the static and dynamical spin correlations is unusual behavior hardly seen in conventional magnets. We discuss the relation between the dichotomy and the spatial configuration of the ${Z}_{2}$ gauge fields. Our results could stimulate further experimental and theoretical analyses of candidate materials for the Kitaev quantum spin liquids.

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Vacancies in Kitaev quantum spin liquids on the three-dimensional hyperhoneycomb lattice

G. J. Sreejith, Subhro Bhattacharjee, Roderich Moessner

We study the effect of adding disorder to the Kitaev model on the hyperhoneycomb lattice, which hosts both gapped and gapless spin liquid phases with an emergent ${\mathbb{Z}}_{2}$ gauge field. The latter has an unusual gapless spectrum of Majorana fermion excitations, with a co-dimension-two Fermi ring. We thus address the question of the interplay of topological physics and disorder by considering the properties of isolated single and pairs of vacancies. We show that near the vacancies, the local magnetic response to a field ${h}_{z}$ is parametrically enhanced in comparison to the pristine bulk. Unlike the previously studied case of the 2D honeycomb Kitaev model, the vacancies do not bind a flux of the ${\mathbb{Z}}_{2}$ gauge field. In the gapped phase, an isolated vacancy gives rise to effectively free spin-half moments with a nonuniversal coupling to an external field. In the gapless phase, the low-field magnetization is suppressed parametrically to ${(\ensuremath{-}ln{h}_{z})}^{\ensuremath{-}1/2}$ because of interactions with the surrounding spin liquid. We also show that a pair of vacancies is subject to a sublattice-dependent interaction on account of coupling through the bulk spin liquid, which is spatially anisotropic even when all Kitaev couplings have equal strength. This coupling is thus exponentially suppressed with distance in the gapped phase. In the gapless phase, two vacancies on the same (opposite) sublattice exhibit an enhanced (suppressed) low-field response, amounting to an effectively (anti-)ferromagnetic interaction.

arXiv:1512.05266•Physical review. B./Physical review. B•Feb 26, 2016•18 citations
Kitaev's compass model on the honeycomb lattice realizes a spin liquid whose emergent excitations are dispersive Majorana fermions and static Z2{\mathrm{Z}}_{2}Z2​ gauge fluxes. We discuss the proper selection of physical states for finite-size simulations in the Majorana representation, based on a recent paper by F. L. Pedrocchi, S. Chesi, and D. Loss [Phys. Rev. B 84, 165414 (2011)]. Certain physical observables acquire large finite-size effects, in particular if the ground state is not fermion-free, which we prove to generally apply to the system in the gapless phase and with periodic boundary conditions. To illustrate our findings, we compute the static and dynamic spin susceptibilities for finite-size systems. Specifically, we consider random-bond disorder (which preserves the solubility of the model), calculate the distribution of local flux gaps, and extract the NMR line shape. We also predict a transition to a random-flux state with increasing disorder.
Kitaev's model of spins interacting on a honeycomb lattice describes a quantum spin liquid, where an emergent static Z2{\mathbb{Z}}_{2}Z2​ gauge field is coupled to Majorana fermions. In the presence of an external magnetic field and for a range of interaction strengths, the system behaves as a gapped, non-Abelian quantum spin liquid. In this phase, the vortex excitations of the emergent Z2{\mathbb{Z}}_{2}Z2​ gauge field have Majorana zero modes bound to them. Motivated by recent experimental progress in measuring and characterizing real materials that could exhibit spin-liquid behavior, we analytically calculate the dynamical spin structure factor in the non-Abelian phase of the Kitaev's honeycomb model. In particular, we treat the case of quenched disorder in the vortex configurations. Our calculations reveal a peak in the low-energy dynamical structure factor that is a signature of the spin-liquid behavior. We map the effective Hamiltonian to that of a chiral ppp-wave superconductor by using the Jordan-Wigner transformation. Subsequently, we analytically calculate the wave functions of the Majorana zero modes, the energy splitting for finite separation of the vortices and, finally, the dynamical structure factor in presence of quenched disorder.
We study the effects of the flux configurations on the emergent Majorana fermions in the S=12S=\frac{1}{2}S=21​ Kitaev model on a honeycomb lattice, where quantum spins are fractionalized into itinerant Majorana fermions and localized fluxes. A quantum spin liquid appears as the ground state of the Kitaev model in the flux-free sector, which has intensively been investigated so far. In this flux sector, the Majorana fermion system has linear dispersions and shows power-law behavior in the Majorana correlations. On the other hand, periodically arranged flux configurations yield low-energy excitations in the Majorana fermion system, which are distinctly different from those in the flux-free state. We find that one of the periodically arranged flux states results in the gapped Majorana dispersion and the exponential decay in the Majorana correlations. The Kitaev system with another flux configuration exhibits a semi-Dirac-type dispersion, leading to the power-law decay with a smaller power than that in the flux-free sector along symmetry axes. We also examine the effect of the randomness in the flux configurations and clarify that the Majorana density of states is filled by increasing the flux density, and power-law decay in the Majorana correlations remains. The present results could be important to control the motion of Majorana fermions, which carries the spin excitations, in the Kitaev candidate materials.
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.
The Kitaev model on a honeycomb lattice with bond-dependent Ising interactions offers an exactly solvable model of a quantum spin liquid (QSL) with fractionalized excitations: gapped Z2{Z}_{2}Z2​ fluxes and gapless linearly dispersing Majorana fermions in the isotropic limit (Kx=Ky=Kz{K}_{x}={K}_{y}={K}_{z}Kx​=Ky​=Kz​). We explore the phase diagram along two axes, an external magnetic field hhh, applied out of plane of the honeycomb, and anisotropic interactions Kz{K}_{z}Kz​ larger than the other two (${K}_{x}={K}_{y}\ensuremath{\equiv}K$). For ${K}_{z}/K\ensuremath{\gg}2$ and h=0h=0h=0, the matter Majorana fermions have the largest gap, and the system is described by a gapped Z2{Z}_{2}Z2​ toric code. One of the central questions we address is whether the fractionalized excitations in the different phases have sharp signatures that can be detected in experiments. We show that while the response to single-spin excitations is broad, the spectral function corresponding to two-spin excitations across a bond has sharp signatures that can be attributed to specific anyons. In the toric code regime, the $\ensuremath{\epsilon}=e\ifmmode\times\else\texttimes\fi{}m$ fermion, formed from the bosonic Ising electric (eee) and magnetic (mmm) charges, disperses along a specific one-dimensional direction that provides a fingerprint of fractionalization. At lower Kz{K}_{z}Kz​ in the center of the Abelian phase, in a regime we dub the primordial fractionalized regime, the field generates a hybridization between the $\ensuremath{\epsilon}$ fermion and the Majorana matter fermion, resulting in a $\ensuremath{\psi}$ fermion which too has a distinct quasi-one-dimensional dispersion. All the other phases in the field-anisotropy plane are naturally obtained from this primordial soup. These highly constrained fractonlike dispersions can be observable by inelastic light and neutron scattering, thereby providing ``smoking gun'' signatures of fractionalization in the QSL phase. Our analysis is based on calculations of susceptibilities, topological entanglement entropy, and excitation dynamics, obtained using exact diagonalization and density matrix renormalization group, and supported by perturbation theory.
A prominent feature of quantum spin liquids is fractionalization of the spin degree of freedom. Fractionalized excitations have their own dynamics in different energy scales, and hence, affect finite-temperature (TTT) properties in a peculiar manner even in the paramagnetic state harboring the quantum spin liquid state. We here present a comprehensive theoretical study of the spin dynamics in a wide TTT range for the Kitaev model on a honeycomb lattice, whose ground state is a quantum spin liquid. In this model, the fractionalization occurs to break up quantum spins into itinerant matter fermions and localized Z2{Z}_{2}Z2​ fluxes, which results in two crossovers at very different TTT scales. Extending the previous study for the isotropic coupling case [J. Yoshitake, J. Nasu, and Y. Motome, Phys. Rev. Lett. 117, 157203 (2016)], we calculate the dynamical spin structure factor $S(\mathbf{q},\ensuremath{\omega})$, the NMR relaxation rate 1/T11/{T}_{1}1/T1​, and the magnetic susceptibility $\ensuremath{\chi}$ while changing the anisotropy in the exchange coupling constants, by using the dynamical mean-field theory based on a Majorana fermion representation. We describe the details of the methodology including the continuous-time quantum Monte Carlo method for computing dynamical spin correlations and the maximum entropy method for analytic continuation. We confirm that the combined method provides accurate results in a wide TTT range including the region where the spins are fractionalized. We find that also in the anisotropic cases the system exhibits peculiar behaviors below the high-TTT crossover whose temperature is comparable to the average of the exchange constants: $S(\mathbf{q},\ensuremath{\omega})$ shows an inelastic response at the energy scale of the averaged exchange constant, 1/T11/{T}_{1}1/T1​ continues to grow even though the equal-time spin correlations are saturated and almost TTT independent, and $\ensuremath{\chi}$ deviates from the Curie-Weiss behavior. In particular, when the exchange interaction in one direction is stronger than the other two, the dynamical quantities exhibit qualitatively different TTT dependences from the isotropic case at low TTT, reflecting the opposite parity between the flux-free ground state and the flux-excited state, and a larger energy cost for flipping a spin in the strong interaction direction. On the other hand, when the exchange anisotropy is in the opposite way, the results are qualitatively similar to those in the isotropic case. All these behaviors manifest the spin fractionalization in the paramagnetic region. Among them, the dichotomy between the static and dynamical spin correlations is unusual behavior hardly seen in conventional magnets. We discuss the relation between the dichotomy and the spatial configuration of the Z2{Z}_{2}Z2​ gauge fields. Our results could stimulate further experimental and theoretical analyses of candidate materials for the Kitaev quantum spin liquids.
We study the effect of adding disorder to the Kitaev model on the hyperhoneycomb lattice, which hosts both gapped and gapless spin liquid phases with an emergent Z2{\mathbb{Z}}_{2}Z2​ gauge field. The latter has an unusual gapless spectrum of Majorana fermion excitations, with a co-dimension-two Fermi ring. We thus address the question of the interplay of topological physics and disorder by considering the properties of isolated single and pairs of vacancies. We show that near the vacancies, the local magnetic response to a field hz{h}_{z}hz​ is parametrically enhanced in comparison to the pristine bulk. Unlike the previously studied case of the 2D honeycomb Kitaev model, the vacancies do not bind a flux of the Z2{\mathbb{Z}}_{2}Z2​ gauge field. In the gapped phase, an isolated vacancy gives rise to effectively free spin-half moments with a nonuniversal coupling to an external field. In the gapless phase, the low-field magnetization is suppressed parametrically to ${(\ensuremath{-}ln{h}_{z})}^{\ensuremath{-}1/2}$ because of interactions with the surrounding spin liquid. We also show that a pair of vacancies is subject to a sublattice-dependent interaction on account of coupling through the bulk spin liquid, which is spatially anisotropic even when all Kitaev couplings have equal strength. This coupling is thus exponentially suppressed with distance in the gapped phase. In the gapless phase, two vacancies on the same (opposite) sublattice exhibit an enhanced (suppressed) low-field response, amounting to an effectively (anti-)ferromagnetic interaction.