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Thermodynamics of 3D Kitaev quantum spin liquids via tensor networks

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 Added by Saeed S. Jahromi
 Publication date 2020
  fields Physics
and research's language is English




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We study the 3D Kitaev and Kitaev-Heisenberg models respectively on the hyperhoneycomb and hyperoctagon lattices, both at zero and finite-temperature, in the thermodynamic limit. Our analysis relies on advanced tensor network (TN) simulations based on graph Projected Entangled-Pair States (gPEPS). We map out the TN phase diagrams of the models and characterize their underlying gapped and gapless phases both at zero and finite temperature. In particular, we demonstrate how cooling down the hyperhoneycomb system from high-temperature leads to fractionalization of spins to itinerant Majorana fermions and gauge fields that occurs in two separate temperature regimes, leaving their fingerprint on specific heat as a double-peak feature as well as on other quantities such as the thermal entropy, spin-spin correlations and bond entropy. Using the Majorana representation of the Kitaev model, we further show that the low-temperature thermal transition to the Kitaev quantum spin liquid (QSL) phase is associated with the non-trivial Majorana band topology and the presence of Weyl nodes, which manifests itself via non-vanishing Chern number and finite thermal Hall conductivity. Beyond the pure Kitaev limit, we study the 3D Kitaev-Heisenberg (KH) model on the hyperoctagon lattice and extract the full phase diagram for different Heisenberg couplings. We further explore the thermodynamic properties of the magnetically-ordered regions in the KH model and show that, in contrast to the QSL phase, here the thermal phase transition follows the standard Landau symmetry-breaking theory.



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We study the excitation spectrum of the spin-1 Kitaev model using the symmetric tensor network. By evaluating the virtual order parameters defined on the virtual Hilbert space in the tensor network formalism, we confirm the ground state is in a $mathbb{Z}_2$ spin liquid phase. Using the correspondence between the transfer matrix spectrum and low-lying excitations, we find that contrary to the dispersive Majorana excitation in the spin-1/2 case, the isotropic spin-1 Kitaev model has a dispersive charge anyon excitation. Bottom of the gapped single-particle charge excitations are found at $mathbf{K}, mathbf{K}=(pm2pi/3, mp 2pi/3)$, with a corresponding correlation length of $xi approx 6.7$ unit cells. The lower edge of the two-particle continuum, which is closely related to the dynamical structure factor measured in inelastic neutron scattering experiments, is obtained by extracting the excitations in the vacuum superselection sector in the anyon theory language
We study the spin transport through the quantum spin liquid (QSL) by investigating the real-time and real-space dynamics of the Kitaev spin system with a zigzag structure in terms of the time-dependent Majorana mean-field theory. After the magnetic field pulse is introduced to one of the edges, the spin moments are excited in the opposite edge region although no spin moments are induced in the Kitaev QSL region. This unusual spin transport originates from the fact that the $S=1/2$ spins are fractionalized into the itinerant and localized Majorana fermions in the Kitaev system. Although both Majorana fermions are excited by the magnetic pulse, only the itinerant Majorana fermions flow through the bulk regime without the spin excitation, resulting in the spin transport in the Kitaev system. We also demonstrate that this phenomenon can be observed even in the system with the Heisenberg interactions using the exact diagonalization.
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 Liebs 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.
We provide a framework for understanding the gapless Kitaev spin liquid (KSL) in the language of tensor network(TN). Without introducing Majorana fermion, most of the features of the KSL including the symmetries, gauge structure, criticality and vortex-freeness are explained in a compact TN representation. Our construction reveals a hidden string gas structure of the KSL. With only two variational parameters to adjust, we obtain an accurate KSL ansatz with the bond dimension D = 8 in a compact form, where the energy is about 0.007% higher than the exact one. In addition, the opening of gap and non-Abelian phase driven by a magnetic field are naturally understood in our construction.
Two- and three-dimensional Kitaev magnets are prototypical frustrated quantum spin systems, in which the original spin degrees of freedom fractionalize into Majorana fermions and a $mathbb{Z}_2$ gauge field -- a purely local phenomenon that reveals itself as a thermodynamic crossover at a temperature scale set by the strength of the bond-directional interactions. For conventional Kitaev magnets, the low-temperature thermodynamics reveals a second transition at which the $mathbb{Z}_2$ gauge field orders and the system enters a spin liquid ground state. Here we discuss an explicit example that goes beyond this paradigmatic scenario -- the $mathbb{Z}_2$ gauge field is found to be subject to geometric frustration, the thermal ordering transition is suppressed, and an extensive residual entropy arises. Deep in the quantum regime, at temperatures of the order of one per mil of the interaction strength, the degeneracy in the gauge sector is lifted by a subtle interplay between the gauge field and the Majorana fermions, resulting in the formation of a Majorana metal. We discuss the thermodynamic signatures of this physics obtained from large-scale, sign-free quantum Monte Carlo simulations.
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