This paper discusses a doubly frustrated Kitaev model, in which not only the original spin degrees of freedom are subject to exchange frustration, but also the emergent gauge degrees of freedom, which are exposed to geometric frustration. Using sign-free quantum Monte Carlo simulations, it is shown that this gauge frustration' leads to a suppression of the usual thermal ordering transition, and the Majorana metal of the spin liquid ground state is characterized by a subtle interplay of gauge field and Majorana fermions.
This paper discusses a doubly frustrated Kitaev model, in which not only the original spin degrees of freedom are subject to exchange frustration, but also the emergent gauge degrees of freedom, which are exposed to geometric frustration. Using sign-free quantum Monte Carlo simulations, it is shown that this gauge frustration' leads to a suppression of the usual thermal ordering transition, and the Majorana metal of the spin liquid ground state is characterized by a subtle interplay of gauge field and Majorana fermions.
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 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.
Interactions between the microscopic constituents of a solid---a many-body system--- can lead to novel phases and exotic physical phenomena like fractionalization, topological order, quantum spin liquids, emergent gauge field, etc.. The concept of frustration provides a ground for such exotic phenomena. Frustration can prevent a many-body system from establishing long-range order down to the lowest temperatures due to competing interactions. Instead, competing interactions may result in disordered and liquid-like phases of matter that provide the vacuum for fractional excitations. The absence of any order parameter in strongly frustrated systems---due to not breaking any symmetry spontaneously--- immediately raises the question about possible experimental probes of spin-liquids and their fractional excitations. Dynamic probes, like inelastic neutron scattering or Raman scattering, provide an experimental method to detect signatures of fractionalised quasiparticles. The energy and momentum transferred in a scattering event is split between the fractional quasiparticles. On the theory side, computing such dynamical signatures beyond one spatial dimension is generally a difficult task. In this thesis, numerical methods like density matrix renormalisation group and matrix product states are used to study strongly frustrated magnets and their dynamics in a non-perturbative way. This thesis covers two physical models in the context of frustration and emergent gauge fields. Firstly, the Kitaev model of spin-1/2 degrees of freedom subject to strongly anisotropic spin exchange. The Kitaev model features quantum spin liquid ground states with fractionalization of spins into Majorana fermions and Z_2-fluxes---the visons of an emergent Z_2 gauge theory. The main questions addressed here concern the stability of the quantum spin liquid phase upon adding perturbations relevant in magnetic compounds such as Heisenberg or the symmetric-offdiagonal Gamma exchange. Applying a magnetic field drives the Kitaev model into a topologically ordered phase. The excitations and dynamical signatures within the spin liquid, the topologically ordered phase, and within ordered phases are studied. Secondly, a classical minimal model of the proton configuration in water ice is studied. The ice rules, a local constraint describing the low energy manifold, result in emergent Maxwell's equation. Upon applying an external electric field along certain axis, a polarization plateau occurs in which the remaining degrees of freedom can be described by dimers on two-dimensional lattices.
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.
We study a mixed-state topological transition in the non-Abelian Kitaev spin liquid driven by a bond-dephasing channel. In the vectorized picture, bond dephasing maps onto interactions between two time-reversed fractionalized Majorana systems coupled to gapped Z2 gauge fields, enabling sign-problem-free Monte Carlo simulations. We show that increasing dephasing condenses an inter-copy fermion pair, converting Ising⊠Ising to toric-code order in the Choi state and yielding intrinsically mixed-state topological order upon unfolding. More interestingly, at a temporal interface between topological and trivial Kitaev states, a Chern-number mismatch enforces a gapless Majorana mode. Dephasing then drives a mixed-state topological transition at which the gapless mode develops emergent N=1 supersymmetry. Our Monte Carlo simulations yield ν=1.27(3) and ηb≃ηf≃0.40, consistent with the exact supersymmetric values 5/4 and 2/5. The supersymmetric partners are fractionalized and appear physically as distinct gauge-invariant spin strings, providing concrete observables for future experiments.
A three-dimensional Kitaev model on a hyperhoneycomb lattice is investigated numerically at finite temperature. The Kitaev model is one of the solvable quantum spin models, where the ground state is given by gapped and gapless spin liquids, depending on the anisotropy of the interactions. This model can be rewritten as a free Majorana fermion system coupled with Z 2 variables. The density of states of Majorana fermions shows an excitation gap in the gapped region, while it is semimetallic in the gapless region reflecting the Dirac node. Performing the Monte Carlo simulation, we calculate the temperature dependence of the Majorana spectra. We find that the semimetallic dip is filled as temperature increases in the gapless region, but surprisingly, the spectrum develops an excitation gap in the region near the gapless-gapped boundary. Such changes of the low-energy spectrum appear sharply at the transition temperature from the spin liquid to the paramagnetic state. The results indicate that thermal fluctuations of the Z 2 fields significantly influence the low-energy state of Majorana fermions, especially in the spin liquid formation.