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Quantum groundstates of the spin-1/2 XXZ model on a fully-frustrated honeycomb lattice

Stephen Inglis

Published Oct 1, 2010• 4 citations
OpenAlex

Abstract

In this thesis we present results from quantum Monte Carlo for the fully-frustrated honeycomb lattice. \nThe XXZ model is of interest in the classical limit, as there is a mapping between the classical fully-frustrated honeycomb Ising model groundstates and the classical hard-core dimer model groundstate. \nThe aim of this work is to explore the effect of quantum fluctuations on the fully-frustrated honeycomb model to see what sort of interesting physics arises. \nOne might expect unusual physics due to the quantum hard-core dimer model, where interesting physics are known to exist. \nThis is because there is a duality mapping between the classical dimer model and the classical fully-frustrated honeycomb Ising model. \nIndeed, by studying the fully-frustrated honeycomb XXZ model we find that in some cases the system orders into crystal-like structures, a case of order-by-disorder. \nThe most interesting case, when the frustrating bonds are chosen randomly, reveals to us a novel state without any discernible order while at the same time avoiding the freezing one would expect of a glass. \nThis state is a featureless system lacking low temperature magnetic susceptibility---a candidate ``quantum spin liquid''. \nFuture work that might more easily measure quantum spin liquid criteria is suggested.

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Magnetic frustrations are the fundamental cause of many interesting phenomena in materials that have been intensely studied since the middle of the 20th century. Magnetic systems with competing interactions, ranging from insulating antiferromagnets to arrays of superconducting qubits, exhibit nontrivial quantum e ects that arise from the need to satisfy a jagged free energy landscape. The search for and characterization of quantum spin liquids, nontrivial topological phases, and quantum phase transitions is conducted through investigations of such frustrated models. Within the large umbrella of frustrated magnetism I have studied some speci c models with the purpose of answering the following questions: (1) What are the interesting phases and less-interesting phases, and how do they fall in the phase diagram relative to one another? (2) What properties do the phases have, and how can we characterize what happens when one phase transitions to another? Armed with the answers to these questions, researchers can further explore these interesting phenomena and apply them towards new materials and devices. In this thesis, I rst develop a computational methodology for studying both classical and quantum spin models using various forms of Monte Carlo simulation. I use classical Monte Carlo to study highly-frustrated models of Ising spins both at nite temperatures and in the T = 0 limit, to map the phase diagram and determine the universality class of phase transitions. Using these methods, I show that in a dissipative chain of qubits, bath-induced qubit-qubit interactions lead to collective decoherence above a critical dissipation strength. This causes the qubits to lose all stored information and become fully correlated with one another, an e ect that one would need to mitigate in order to perform quantum computation. In another study, I show that in antiferromagnetic insulators with anisotropic interactions, frustration can cause an intermediate paramagnetic phase with oblong \droplets" of correlated spins. This phenomenon is quite general and the presence of these droplets can help explain experimental signatures that occur at unexpected temperatures in such materials. In addition to the classical simulations, I develop a variational Monte Carlo (VMC) technique to search for ground states in Heisenberg-type models, speci cally for spins S = 1. The case of S = 1 is more complicated than the case for S = 1=2 due to an additional local degree of freedom, which has interesting implications for the possible states that can be realized. Using semiclassical energy minimization as well as VMC, I show that spin S = 1 diamond-lattice antiferromagnets experience higher-order spinspin interactions that destroy previously theorized liquid-like spiral spin orderings. However, the presence of these higher-order interactions can also potentially allow other phases such as quantum spin liquids and topological paramagnets. Such results can provide an avenue for explaining anomalous phenomena like low-temperature paramagnetism in future experimental materials.

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Phase diagrams of two-dimensional frustrated spin systems

Ansgar Kalz

In this work the ordering processes in classical frustrated Ising models and the ground-state behavior of frustrated quantum spin models are investigated. In the first part the phase transition from a high-temperature paramagnetic phase to a antiferromagnetic ground state is analyzed for the square-lattice Ising model with competing antiferromagnetic interactions between nearest- and next-nearest-neighbor spins. In the case of spatially isotropic interactions the phase transition to a collinear state is of special interest. Using Monte-Carlo simulations on finite lattices as well as field-theoretical methods for the continuous model it is shown that depending on the frustration three different sectors can be distinguished that show (i) Ising-universal behavior (ii) Ashkin-Teller-like non-universal behavior (varying critical exponents) and (iii) non-critical first-order behavior. For spatially anisotropic interactions the emergence of an intermediate incommensurate phase is verified by means of Monte-Carlo simulations which has been predicted by earlier mean-field calculations. The nature of this phase is studied analyzing spin-spin correlation functions and its ordering wave-vector reveals a strong temperature and size dependence. In the second part the influence of quantum fluctuations on classical antiferromagnetic ground states are investigated in anisotropic quantum spin-1/2 Heisenberg models with competing interactions. Using quantum Monte-Carlo simulations, exact diagonalization and perturbation theory the ground-state phase diagrams are calculated for a square lattice with nearest- and next-nearest-neighbor interactions and a honeycomb lattice with up to third-nearest-neighbor interactions whereby the fluctuations are chosen to be non-frustrating. For both cases the stability regions of classical magnetic states are identified and an intermediate phase is detected that shows no sign of long-range magnetic order. Further calculations also rule out valence-bond-crystal or topological order for this state, thus a quantum disordered ground state is stabilized in these models.

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Mott Insulators in a Fully-Frustrated Bose Hubbard Model on the Honeycomb Lattice

Stephen Inglis, Roger G. Melko

We examine the effects of quantum fluctuations on a classical spin liquid state in the fully-frustrated honeycomb lattice Bose Hubbard model using quantum Monte Carlo simulations. Frustration is induced explicitly in the model by modulating the sign of the interaction spatially around each lattice hexagon. A superfluid to Mott insulating quantum phase transition can be induced by varying the relative strength of the classical interaction and quantum hopping. In the cases where the interaction has a regular spatial modulation, hopping promotes a phase transition to a symmetry-broken valence-bond solid state. When the interaction is forced to have no regular pattern, the Mott insulating phase is found to be featureless and gapped, making it an interesting candidate state for a quantum spin liquid arising in a Hamiltonian with only nearest-neighbor interactions.

•Aug 17, 2016•1 citation
In this thesis we present results from quantum Monte Carlo for the fully-frustrated honeycomb lattice. \nThe XXZ model is of interest in the classical limit, as there is a mapping between the classical fully-frustrated honeycomb Ising model groundstates and the classical hard-core dimer model groundstate. \nThe aim of this work is to explore the effect of quantum fluctuations on the fully-frustrated honeycomb model to see what sort of interesting physics arises. \nOne might expect unusual physics due to the quantum hard-core dimer model, where interesting physics are known to exist. \nThis is because there is a duality mapping between the classical dimer model and the classical fully-frustrated honeycomb Ising model. \nIndeed, by studying the fully-frustrated honeycomb XXZ model we find that in some cases the system orders into crystal-like structures, a case of order-by-disorder. \nThe most interesting case, when the frustrating bonds are chosen randomly, reveals to us a novel state without any discernible order while at the same time avoiding the freezing one would expect of a glass. \nThis state is a featureless system lacking low temperature magnetic susceptibility---a candidate ``quantum spin liquid''. \nFuture work that might more easily measure quantum spin liquid criteria is suggested.
We consider the spin-1/2 antiferromagnetic Heisenberg model on a bilayer honeycomb lattice including interlayer frustration in the presence of an external magnetic field. In the vicinity of the saturation field, we map the low-energy states of this quantum system onto the spatial configurations of hard hexagons on a honeycomb lattice. As a result, we can construct effective classical models (lattice-gas as well as Ising models) on the honeycomb lattice to calculate the properties of the frustrated quantum Heisenberg spin system in the low-temperature regime. We perform classical Monte Carlo simulations for a hard-hexagon model and adopt known results for an Ising model to discuss the finite-temperature order-disorder phase transition that is driven by a magnetic field at low temperatures. We also discuss an effective-model description around the ideal frustration case and find indications for a spin-flop-like transition in the considered isotropic spin model.
We examine the effects of quantum fluctuations on a classical spin liquid state in the fully frustrated honeycomb lattice Bose–Hubbard model in the hard-core limit using quantum Monte Carlo simulations. Frustration is induced explicitly in the model by modulating the sign of the nearest-neighbor interaction spatially around each lattice hexagon. A superfluid-to-Mott insulating quantum phase transition can be induced by varying the relative strength of the classical interaction and quantum hopping. In the cases where the interaction has a regular spatial modulation, hopping promotes a phase transition to a symmetry-broken half-filled valence-bond solid state. When the interaction is forced to have no regular pattern, the insulating state is found to be random and gapped, suggesting the existence of a Mott glass phase.
In this thesis we apply recently developed, as well as sophisticated quantum Monte Carlo methods to numerically investigate models of strongly correlated electron systems on honeycomb structures. The latter are of particular interest owing to their unique properties when simulating electrons on them, like the relativistic dispersion, strong quantum fluctuations and their resistance against instabilities. This work covers several projects including the advancement of the weak-coupling continuous time quantum Monte Carlo and its application to zero temperature and phonons, quantum phase transitions of valence bond solids in spin-1/2 Heisenberg systems using projector quantum Monte Carlo in the valence bond basis, and the magnetic field induced transition to a canted antiferromagnet of the Hubbard model on the honeycomb lattice. The emphasis lies on two projects investigating the phase diagram of the SU(2) and the SU(N)-symmetric Hubbard model on the hexagonal lattice. At sufficiently low temperatures, condensed-matter systems tend to develop order. An exception are quantum spin-liquids, where fluctuations prevent a transition to an ordered state down to the lowest temperatures. Previously elusive in experimentally relevant microscopic two-dimensional models, we show by means of large-scale quantum Monte Carlo simulations of the SU(2) Hubbard model on the honeycomb lattice, that a quantum spin-liquid emerges between the state described by massless Dirac fermions and an antiferromagnetically ordered Mott insulator. This unexpected quantum-disordered state is found to be a short-range resonating valence bond liquid, akin to the one proposed for high temperature superconductors. Inspired by the rich phase diagrams of SU(N) models we study the SU(N)-symmetric Hubbard Heisenberg quantum antiferromagnet on the honeycomb lattice to investigate the reliability of 1/N corrections to large-N results by means of numerically exact QMC simulations. We study the melting of phases as correlations increase with decreasing N and determine whether the quantum spin liquid found in the SU(2) Hubbard model at intermediate coupling is a specific feature, or also exists in the unconstrained t-J model and higher symmetries.
Magnetic frustrations are the fundamental cause of many interesting phenomena in materials that have been intensely studied since the middle of the 20th century. Magnetic systems with competing interactions, ranging from insulating antiferromagnets to arrays of superconducting qubits, exhibit nontrivial quantum e ects that arise from the need to satisfy a jagged free energy landscape. The search for and characterization of quantum spin liquids, nontrivial topological phases, and quantum phase transitions is conducted through investigations of such frustrated models. Within the large umbrella of frustrated magnetism I have studied some speci c models with the purpose of answering the following questions: (1) What are the interesting phases and less-interesting phases, and how do they fall in the phase diagram relative to one another? (2) What properties do the phases have, and how can we characterize what happens when one phase transitions to another? Armed with the answers to these questions, researchers can further explore these interesting phenomena and apply them towards new materials and devices. In this thesis, I rst develop a computational methodology for studying both classical and quantum spin models using various forms of Monte Carlo simulation. I use classical Monte Carlo to study highly-frustrated models of Ising spins both at nite temperatures and in the T = 0 limit, to map the phase diagram and determine the universality class of phase transitions. Using these methods, I show that in a dissipative chain of qubits, bath-induced qubit-qubit interactions lead to collective decoherence above a critical dissipation strength. This causes the qubits to lose all stored information and become fully correlated with one another, an e ect that one would need to mitigate in order to perform quantum computation. In another study, I show that in antiferromagnetic insulators with anisotropic interactions, frustration can cause an intermediate paramagnetic phase with oblong \droplets" of correlated spins. This phenomenon is quite general and the presence of these droplets can help explain experimental signatures that occur at unexpected temperatures in such materials. In addition to the classical simulations, I develop a variational Monte Carlo (VMC) technique to search for ground states in Heisenberg-type models, speci cally for spins S = 1. The case of S = 1 is more complicated than the case for S = 1=2 due to an additional local degree of freedom, which has interesting implications for the possible states that can be realized. Using semiclassical energy minimization as well as VMC, I show that spin S = 1 diamond-lattice antiferromagnets experience higher-order spinspin interactions that destroy previously theorized liquid-like spiral spin orderings. However, the presence of these higher-order interactions can also potentially allow other phases such as quantum spin liquids and topological paramagnets. Such results can provide an avenue for explaining anomalous phenomena like low-temperature paramagnetism in future experimental materials.
In this work the ordering processes in classical frustrated Ising models and the ground-state behavior of frustrated quantum spin models are investigated. In the first part the phase transition from a high-temperature paramagnetic phase to a antiferromagnetic ground state is analyzed for the square-lattice Ising model with competing antiferromagnetic interactions between nearest- and next-nearest-neighbor spins. In the case of spatially isotropic interactions the phase transition to a collinear state is of special interest. Using Monte-Carlo simulations on finite lattices as well as field-theoretical methods for the continuous model it is shown that depending on the frustration three different sectors can be distinguished that show (i) Ising-universal behavior (ii) Ashkin-Teller-like non-universal behavior (varying critical exponents) and (iii) non-critical first-order behavior. For spatially anisotropic interactions the emergence of an intermediate incommensurate phase is verified by means of Monte-Carlo simulations which has been predicted by earlier mean-field calculations. The nature of this phase is studied analyzing spin-spin correlation functions and its ordering wave-vector reveals a strong temperature and size dependence. In the second part the influence of quantum fluctuations on classical antiferromagnetic ground states are investigated in anisotropic quantum spin-1/2 Heisenberg models with competing interactions. Using quantum Monte-Carlo simulations, exact diagonalization and perturbation theory the ground-state phase diagrams are calculated for a square lattice with nearest- and next-nearest-neighbor interactions and a honeycomb lattice with up to third-nearest-neighbor interactions whereby the fluctuations are chosen to be non-frustrating. For both cases the stability regions of classical magnetic states are identified and an intermediate phase is detected that shows no sign of long-range magnetic order. Further calculations also rule out valence-bond-crystal or topological order for this state, thus a quantum disordered ground state is stabilized in these models.
We examine the effects of quantum fluctuations on a classical spin liquid state in the fully-frustrated honeycomb lattice Bose Hubbard model using quantum Monte Carlo simulations. Frustration is induced explicitly in the model by modulating the sign of the interaction spatially around each lattice hexagon. A superfluid to Mott insulating quantum phase transition can be induced by varying the relative strength of the classical interaction and quantum hopping. In the cases where the interaction has a regular spatial modulation, hopping promotes a phase transition to a symmetry-broken valence-bond solid state. When the interaction is forced to have no regular pattern, the Mott insulating phase is found to be featureless and gapped, making it an interesting candidate state for a quantum spin liquid arising in a Hamiltonian with only nearest-neighbor interactions.