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arXiv:1508.05324 · Physical Review B

Neutron scattering signatures of the 3D hyperhoneycomb Kitaev quantum spin liquid

A. Smith, Johannes Knolle, Dmitry L. Kovrizhin, J. T. Chalker, Roderich Moessner

Published Nov 11, 2015• 26 citations
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Abstract

Motivated by recent synthesis of the hyperhoneycomb material $\ensuremath{\beta}\text{\ensuremath{-}}{\mathrm{Li}}_{2}{\mathrm{IrO}}_{3}$, we study the dynamical structure factor (DSF) of the corresponding 3D Kitaev quantum spin-liquid (QSL), whose fractionalized degrees of freedom are Majorana fermions and emergent flux loops. The properties of this 3D model are known to differ in important ways from those of its 2D counterpart---it has a finite-temperature phase transition, as well as distinct features in the Raman response. We show, however, that the qualitative behavior of the DSF is broadly dimension-independent. Characteristics of the 3D DSF include a response gap even in the gapless QSL phase and an energy dependence deriving from the Majorana fermion density of states. Since the majority of the response is from states containing a single Majorana excitation, our results suggest inelastic neutron scattering as the spectroscopy of choice to illuminate the physics of Majorana fermions in Kitaev QSLs.

DOI
10.1103/physrevb.92.180408

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Motivated by recent synthesis of the hyperhoneycomb material \ensuremathβ\ensuremath-Li2IrO3\ensuremath{\beta}\text{\ensuremath{-}}{\mathrm{Li}}_{2}{\mathrm{IrO}}_{3}\ensuremathβ\ensuremath-Li2​IrO3​, we study the dynamical structure factor (DSF) of the corresponding 3D Kitaev quantum spin-liquid (QSL), whose fractionalized degrees of freedom are Majorana fermions and emergent flux loops. The properties of this 3D model are known to differ in important ways from those of its 2D counterpart---it has a finite-temperature phase transition, as well as distinct features in the Raman response. We show, however, that the qualitative behavior of the DSF is broadly dimension-independent. Characteristics of the 3D DSF include a response gap even in the gapless QSL phase and an energy dependence deriving from the Majorana fermion density of states. Since the majority of the response is from states containing a single Majorana excitation, our results suggest inelastic neutron scattering as the spectroscopy of choice to illuminate the physics of Majorana fermions in Kitaev QSLs.
We provide a complete and exact theoretical study of the dynamical structure factor of a twodimensional quantum spin liquid in gapless and gapped phases, as realized in Kitaev's honeycomb model.We show that there are direct signatures-qualitative and quantitative-of the Majorana fermions and gauge fluxes emerging in this model.These include counterintuitive manifestations of quantum number fractionalization, such as a neutron scattering response with a gap even in the presence of gapless excitations, and a sharp component despite the fractionalization of electron spin.Our analysis identifies new varieties of the venerable x-ray edge problem and explores connections to the physics of quantum quenches.
Topological states of matter present a wide variety of striking new phenomena. Prominent among these is the fractionalisation of electrons into unusual particles: Majorana fermions [1], Laughlin quasiparticles [2] or magnetic monopoles [3]. Their detection, however, is fundamentally complicated by the lack of any local order, such as, for example, the magnetisation in a ferromagnet. While there are now several instances of candidate topological spin liquids [4], their identification remains challenging [5]. Here, we provide a complete and exact theoretical study of the dynamical structure factor of a two-dimensional quantum spin liquid in gapless and gapped phases. We show that there are direct signatures - qualitative and quantitative - of the Majorana fermions and gauge fluxes emerging in Kitaev's honeycomb model. These include counterintuitive manifestations of quantum number fractionalisation, such as a neutron scattering response with a gap even in the presence of gapless excitations, and a sharp component despite the fractionalisation of electron spin. Our analysis identifies new varieties of the venerable X-ray edge problem and explores connections to the physics of quantum quenches.
We calculate the Raman response for the Kitaev spin model on the $\mathcal{H}\ensuremath{-}0, \mathcal{H}\ensuremath{-}1$, and $\mathcal{H}\ensuremath{-}\ensuremath{\infty}$ harmonic honeycomb lattices. We identify several quantitative features in the Raman spectrum that are characteristic of the spin liquid phase. Unlike the dynamical structure factor, which probes both the Majorana spinons and flux excitations that emerge from spin fractionalization, the Raman spectrum in the Kitaev models directly probes a density of states of pairs of fractional, dispersing Majorana spinons. As a consequence, the Raman spectrum in all these models is gapless for sufficiently isotropic couplings, with a low-energy power law that results from the Fermi lines (or points) of the dispersing Majorana spinons. We show that the polarization dependence of the Raman spectrum contains crucial information about the symmetry of the ground state. We also discuss to what extent the features of the Raman response that we find reflect generic properties of the spin liquid phase, and comment on their possible relevance to $\ensuremath{\alpha}$-, $\ensuremath{\beta}$-, and $\ensuremath{\gamma}\ensuremath{-}{\mathrm{Li}}_{2}{\mathrm{IrO}}_{3}$ compounds.
Motivated by growing evidence for the significance of the third-nearest-neighbor Heisenberg (J3J_3J3​) interaction in candidate Kitaev materials, we investigate the dynamical properties of the Kitaev spin liquid (KSL) under a J3J_3J3​ perturbation, focusing on its spin dynamical structure factor (DSF) and Raman scattering. Within a self-consistent parton mean-field plus random-phase approximation framework, we find that J3J_3J3​ induces coherent, paramagnon-like collective modes that coexist with a high-energy Majorana continuum in the spin DSF. The softening of these modes with increasing ∣J3∣|J_3|∣J3​∣ signals a quantum phase transition to magnetic order. Remarkably, magnetic ordering sets in at a common critical J3J_3J3​ for both ferromagnetic (K<0K<0K<0) and antiferromagnetic (K>0K>0K>0) Kitaev models, with the resulting ordered states forming exact dual pairs under a four-sublattice duality transformation that maps (K,J3)→(−K,J3)(K,J_3) \rightarrow (-K,J_3)(K,J3​)→(−K,J3​). An external magnetic field further softens the preexisting paramagnon modes, thereby enhancing magnetic order. Perturbative Raman calculations show that while the Kitaev-like Raman vertex probes only itinerant matter Majorana fermions, the response from the J3J_3J3​-like vertex features both matter Majoranas and visons. Four-vison excitations produce a sharp peak accompanied by a two-fermion continuum, whereas two-vison excitations yield a continuum closely resembling the single-matter-fermion density of states. These results provide a unified perspective on the dynamical signatures of J3J_3J3​-perturbed KSL and are helpful for interpreting experimental spectra in candidate Kitaev materials with sizable J3J_3J3​ interactions.
We show how Raman spectroscopy can serve as a valuable tool for diagnosing quantum spin liquids (QSL). We find that the Raman response of the gapless QSL of the Kitaev-Heisenberg model exhibits signatures of spin fractionalization into Majorana fermions, which give rise to a broad signal reflecting their density of states, and Z(2) gauge fluxes, which also contribute a sharp feature. We discuss the current experimental situation and explore more generally the effect of breaking the integrability on response functions of Kitaev spin liquids.
The spin-orbit entangled nature of the magnetic moments in Kitaev materials is expected to give rise to a quantum spin liquid (QSL) state with fractional excitations. Using resonant inelastic x-ray scattering under a magnetic field, here the authors map the excitation spectra of $\ensuremath{\beta}$-Li2{}_{2}2​IrO3{}_{3}3​. They observe a dichotomy between a magnon-like response at low energies, originating from intertwined field-induced ground states, and a multi-spinon-like continuum at higher energies, originating from pairwise excitations of long-lived Majorana fermions of the proximate QSL.