Here we revisit the thermodynamics of the Kitaev quantum spin liquid realized on the honeycomb lattice. We address two main questions: First, we investigate whether there are observable thermodynamic signatures of the topological Majorana boundary modes of the Kitaev honeycomb model. We argue that for the time-reversal invariant case the residual low-temperature entropy is the primary thermodynamic signature of these Majorana edge modes. Using large-scale Monte Carlo simulations, we verify that this residual entropy is present in the full Kitaev model. When time-reversal symmetry is broken, the Majorana edge modes are potentially observable in more direct thermodynamic measurements such as the specific heat, though only at temperatures well below the bulk gap. Second, we study the energetics, and the corresponding thermodynamic signatures, of the flux excitations in the Kitaev model. Specifically, we study the flux interactions on both cylinder and torus geometries numerically and quantify their impact on the thermodynamics of the Kitaev spin liquid by using a polynomial fit for the average flux energy as a function of flux density and extrapolating it to the thermodynamic limit. By comparing this model to Monte Carlo simulations, we find that flux interactions have a significant quantitative impact on the shape and the position of the low-temperature peak in the specific heat.
Here we revisit the thermodynamics of the Kitaev quantum spin liquid realized on the honeycomb lattice. We address two main questions: First, we investigate whether there are observable thermodynamic signatures of the topological Majorana boundary modes of the Kitaev honeycomb model. We argue that for the time-reversal invariant case the residual low-temperature entropy is the primary thermodynamic signature of these Majorana edge modes. Using large-scale Monte Carlo simulations, we verify that this residual entropy is present in the full Kitaev model. When time-reversal symmetry is broken, the Majorana edge modes are potentially observable in more direct thermodynamic measurements such as the specific heat, though only at temperatures well below the bulk gap. Second, we study the energetics, and the corresponding thermodynamic signatures, of the flux excitations in the Kitaev model. Specifically, we study the flux interactions on both cylinder and torus geometries numerically and quantify their impact on the thermodynamics of the Kitaev spin liquid by using a polynomial fit for the average flux energy as a function of flux density and extrapolating it to the thermodynamic limit. By comparing this model to Monte Carlo simulations, we find that flux interactions have a significant quantitative impact on the shape and the position of the low-temperature peak in the specific heat.
Here we revisit the thermodynamics of the Kitaev quantum spin liquid realized on the honeycomb lattice. We address two main questions: First, we investigate whether there are observable thermodynamic signatures of the topological Majorana boundary modes of the Kitaev honeycomb model. We argue that for the time-reversal invariant case the residual low-temperature entropy is the primary thermodynamic signature of these Majorana edge modes, and verify using large-scale Monte Carlo simulations that this residual entropy is present in the full Kitaev model. When time-reversal symmetry is broken, the Majorana edge modes are potentially observable in more direct thermodynamic measurements such as the specific heat, though only at temperatures well below the bulk gap. % Second, we study the energetics, and the corresponding thermodynamic signatures, of the flux excitations in the Kitaev model. Specifically, we study the flux interactions on both cylinder and torus geometries numerically, and quantify their impact on the thermodynamics of the Kitaev spin liquid by using a polynomial fit for the average flux energy as a function of flux density and extrapolating it to the thermodynamic limit. By comparing this model to Monte Carlo simulations, we find that flux interactions have a significant quantitative impact on the shape and the position of the low-temperature peak in the specific heat.
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.
Temperature evolution of the spin correlation and excitation spectrum is investigated for a Kitaev model defined on a decorated honeycomb lattice by using the quantum Monte Carlo simulation in the Majorana fermion representation. The ground state of this quantum spin model is given by two kinds of chiral spin liquids: one is topologically trivial with Abelian anyon excitations, and the other is topologically nontrivial with non-Abelian anyon excitations. While lowering temperature, the model exhibits several crossovers in the paramagnetic state, which originate from the fractionalization of quantum spins into Majorana fermions, in addition to a phase transition associated with time reversal symmetry breaking. We show that the spin correlation develops around the crossover temperatures, whereas it shows a slight change at the critical temperature, as in other Kitaev-type models. We also calculate the excitation spectrum in terms of Majorana fermions, and find that the excitation gap in the non-Abelian phase is fragile against thermal fluctuations of the Z2 fluxes, while that in the Abelian phase remains open.
Temperature evolution of the spin correlation and excitation spectrum is investigated for the Kitaev model defined on a decorated honeycomb lattice by using the quantum Monte Carlo simulation in the Majorana fermion representation. The ground state of this quantum spin model is given by two kinds of chiral spin liquids: one is topologically trivial with Abelian anyon excitations, and the other is topologically nontrivial with non-Abelian anyon excitations. While lowering temperature, the model exhibits several crossovers in the paramagnetic state, which originate from the fractionalization of quantum spins into Majorana fermions, in addition to a phase transition associated with time reversal symmetry breaking. We show that the spin correlation develops around the crossover temperatures, whereas it shows a slight change at the critical temperature, as in other Kitaev-type models. We also calculate the excitation spectrum in terms of Majorana fermions, and find that the excitation gap in the non-Abelian phase is fragile against thermal fluctuations of the Z 2 fluxes, while that in the Abelian phase remains open.
We study the thermodynamic behavior of modified spin-S Kitaev models introduced by Baskaran, Sen, and Shankar [Phys. Rev. B 78, 115116 (2008)PRBMDO1098-012110.1103/PhysRevB.78.115116]. These models have the property that for half-odd-integer spins their eigenstates map on to those of spin-1/2 Kitaev models, with well-known highly entangled quantum spin-liquid states and Majorana fermions. For integer spins, the Hamiltonian is made out of commuting local operators. Thus, the eigenstates can be chosen to be completely unentangled between different sites, though with a significant degeneracy for each eigenstate. For half-odd-integer spins, the thermodynamic properties can be related to the spin-1/2 Kitaev models apart from an additional degeneracy. Hence we focus here on the case of integer spins. We use transfer matrix methods, high-temperature expansions, and Monte Carlo simulations to study the thermodynamic properties of ferromagnetic and antiferromagnetic models with spin S=1 and S=2. Apart from large residual entropies, which all the models have, we find that they can have a variety of different behaviors. Transfer matrix calculations show that for the different models, the correlation lengths can be finite as T→0, become critical as T→0, or diverge exponentially as T→0. The Z_{2} flux variable associated with each hexagonal plaquette saturates at the value +1 as T→0 in all models except the S=1 antiferromagnet where the mean flux remains zero as T→0. We provide qualitative explanations for these results.
The S=23 Kitaev honeycomb model (KHM) is unique among the spin-S Kitaev models due to a massive ground-state quasidegeneracy that hampered previous numerical and analytical studies. In a recent work [Jin et al., Nat. Commun. 13, 3813 (2022)], we showed how an SO(6) Majorana parton mean-field theory of the S=23 isotropic KHM explains the anomalous features of this Kitaev spin liquid (KSL) in terms of an emergent low-energy Majorana flat band. Away from the isotropic limit, the S=23 KSL generally displays a quadrupolar order with gapped or gapless Majorana excitations, features that were quantitatively confirmed by density-matrix renormalization group simulations. In this paper, we explore the connection between the S=23 KHM with Kugel-Khomskii models and discover exactly soluble examples for the latter. We perform a symmetry analysis for the variational parton mean-field Ans\"atze in the spin and orbital basis for different quantum liquid phases of the S=23 KHM. Finally, we investigate a proposed time-reversal symmetry-breaking spin liquid induced by [111] single-ion anisotropy and elucidate its topological properties as well as experimental signatures, e.g., an unquantized thermal Hall response.