The study of various types of orders and phases of matter in magnetic systems is extremely popular theme in condensed matter physics. Not only frequently applicable in real world, quantum magnetism provides a fruitful and at the same time frequently feasible framework to search for new phases of matter. In this work we study quantum and associated classical phase transitions of spin systems by combinations of numerical and analytical methods.In Chapter 1 we study quantum paramagnets that are a generalization of antiferromagnetic AKLT [2] construction for the spin group SU(N). We map the so called simplex solid state ansatz wavefunction into a partition function of the classical system on the same lattice using coherent state representation. Then we study phase transitions of that classical models via classical Monte Carlo methods to determine properties of the original quantum simplex solid state [3].In Chapter 2 we are interested in the O(2) model in (2+1)-dimensional system with the dilution, i.e. when some sites are removed from the system. This relativistic O(2) model originates from the description of a transition between superfluid and Mott insulator phases. We study critical properties of the transition using a recently invented [4] worm algorithm.In Chapter 3 we are studying large-N expansion for the symplectic spin group Sp(N). When the original SU(2) spin model proves to be too difficult to be solved, for example at low temperatures, one of the alternative ways is to consider a system based on a more general spin group, for example SU(N) or Sp(N). Results often remain relevant for the original SU(2) group. We are using the mean-field theory approach to find phase transitions associated with the cubic Sp(N) system at large N.Another fundamental question of interest is how different systems behave when they are periodically driven by some external field. Such systems are called Floquet systems, and we will study them in Chapter 4. We will consider interacting and non-interacting systems, that might have a non-conventional type of ordering, topological order.
The study of various types of orders and phases of matter in magnetic systems is extremely popular theme in condensed matter physics. Not only frequently applicable in real world, quantum magnetism provides a fruitful and at the same time frequently feasible framework to search for new phases of matter. In this work we study quantum and associated classical phase transitions of spin systems by combinations of numerical and analytical methods.In Chapter 1 we study quantum paramagnets that are a generalization of antiferromagnetic AKLT [2] construction for the spin group SU(N). We map the so called simplex solid state ansatz wavefunction into a partition function of the classical system on the same lattice using coherent state representation. Then we study phase transitions of that classical models via classical Monte Carlo methods to determine properties of the original quantum simplex solid state [3].In Chapter 2 we are interested in the O(2) model in (2+1)-dimensional system with the dilution, i.e. when some sites are removed from the system. This relativistic O(2) model originates from the description of a transition between superfluid and Mott insulator phases. We study critical properties of the transition using a recently invented [4] worm algorithm.In Chapter 3 we are studying large-N expansion for the symplectic spin group Sp(N). When the original SU(2) spin model proves to be too difficult to be solved, for example at low temperatures, one of the alternative ways is to consider a system based on a more general spin group, for example SU(N) or Sp(N). Results often remain relevant for the original SU(2) group. We are using the mean-field theory approach to find phase transitions associated with the cubic Sp(N) system at large N.Another fundamental question of interest is how different systems behave when they are periodically driven by some external field. Such systems are called Floquet systems, and we will study them in Chapter 4. We will consider interacting and non-interacting systems, that might have a non-conventional type of ordering, topological order.
Classical and quantum spin systems are widely used models in both experimental and theoretical condensed matter physics. In many materials, the electronic interactions can be difficult to model exactly. However, in some insulators (Mott insulators), the magnetic (spin) interactions can be captured well with spin-only models. Several models are studied in this thesis. First, I report the solution of a long-standing issue in a classical frustrated spin model (i.e., where the quantum effects are neglected and the complexity is due to competing interactions): the nature of the thermal phase transition to a stripe state in the two dimensional (2D) J1-J2 model. Here J1 and J2 are nearest- and next-nearest-neighbor couplings. Monte Carlo simulations with single-spin updates are used for the calculations, and an extended-ensemble method, a generalization of the Wang-Landau algorithm, is also developed and tested. I focus on the study of "weak universality" behavior (continuously varying critical exponents, with one of the exponents staying fixed), for which I show a correspondence with a known class of conformal field theories with charge c = 1. Next, moving to quantum spins, to shed light on magnetic systems studied experimentally and to investigate new types of quantum states of interest in developing theories of quantum magnetism, I study the S = 1/2 Heisenberg model on the 2D square lattice with added six-spin interactions (the so-called J-Q3 model) as well as a set of 3D quantum antiferromagnets on dimerized lattices. Here I use the stochastic series expansion quantum Monte Carlo method. In the study of the J-Q3 model, I report on a similar weak-universality behavior as in the classical J1-J2 model, but with a mapping to a different known class of c = 1 conformal field theories. The critical behavior of the system again shows continuously changing exponents, in a way which corresponds to a gradual weakening of Z4 symmetry-breaking to an emergent U(1) symmetry. In the study of dimerized antiferromagnets, I report on a universal behavior of the Néel temperature TN, which can be related to ground state parameters independently of the microscopic interaction details in several different models.
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.
This thesis is focused on the application and development of numerical methods for studying quantum many- body spin systems. Part I sets the stage for research projects. In chapter 1, I go over major milestones in the field of frustrated magnetism, how it fits into a larger category of condensed matter physics, and recent developments that provide context for the research projects presented in part II. Chapters 2 3 provide the reader with necessary concepts in physics of phase transitions and numerical methods that are often employed when studying ground states of quantum many body systems. Part II focuses on the research projects carried out during my PhD research. In chapter 4 I present a machine-learning inspired method for solving quantum many body problems. This method addresses issues of representation of variational wave functions and their optimization. In chapter 5, I present a numerical study on the embedding of an exactly solvable point in a phase diagram of an extended Heisenberg model on a kagome lattice. Chapter 6 studies a quantum Heisenberg model on the stuffed honeycomb lattice. Phase transitions in quantum many body systems manifest themselves as a reorganization of low energy spectra of the system. They come in a variety of forms ranging from symmetry breaking transitions, where a local order parameter is formed and to topological phase transitions where the change of the ground state can be attributed to non-local changes in the entanglement patterns. In chapter 2, I review classic models studied in the context of frustrated magnetism and briefly go over the formulation of Landau symmetry breaking theory and common order parameters. The breakdown of Landau symmetry-breaking theory for topological phase transition is discussed using the example of Resonance Valence Bond (RVB) state, which serves as a qualitative exemplification of spin liquid phases. I discuss means of detecting phase transitions with a focus on methods that are applicable in a numerical setting. Chapter 3 presents elements of the numerical machinery that the rest of the thesis employs and builds upon. I discuss traditional trade-offs and provide rough metrics used for analysis of strengths and drawbacks of different approaches. Then I focus on Exact Diagonalization (ED) and Variational Monte Carlo (VMC) methods that are used in later chapters. In chapter 4, I describe the application of machine learning techniques to the variational approach to the quantum many body problem. I introduce Computational Graph States (CGS), a new class of variational wave functions based on the dataflow programming paradigm. The use of computational graphs makes composing new wave functions easy due to its modular structure. Automatic differentiation allows us to obtain efficient derivatives with respect to variational parameters automatically. We also develop a novel optimization scheme, Supervised Wave-function Optimization. It combines ideas of supervised learning and imaginary time evolution. Our method resolves a number of technical challenges and allows seamless optimization of complicated variational models. During the exploration process we constructed a new class of system size invariant model wave functions that can be trained on one system size and generalized to other system sizes with high accuracy. In chapter 5, we study the phase diagram of the kagome antiferromagnet in the J2, Jz plane, which corresponds to second nearest neighbor interactions and spin anisotropy. We report an exactly solvable point with macroscopic degeneracy at J2 = 0, Jz = −0.5 and show that many phases emanate from around this point. In addition, we find a previously unknown transition within the spin-liquid region suggesting a possibility of two distinct spin liquids. In chapter 6, we consider a Heisenberg model on the stuffed honeycomb lattice which interpolated between the triangular and honeycomb lattices. Using exact diagonalization we compute the phase diagram of this model. We find that for this model, the triangular lattice J1-J2 spin liquid region is extended to a larger domain that has lower symmetries than that of the triangular lattice. We perform a variational study of projected BCS wave functions which we directly compare to exact ground states on 36 site cluster as well as consider variational energies from larger system sizes. We argue that construction of symmetric states is essential to obtain good variational energies and give evidence that Dirac spin-liquid state is likely to characterize the spin liquid phase.
Abstract. We study the structure of quantum ground states of simplex solid models, which are generalizations of the valence bond construction for quantum antiferromagnets originally proposed by Affleck, Kennedy, Lieb, and Tasaki (AKLT) (1987 Phys. Rev. Lett . 59 799). Whereas the AKLT states are created by application of bond singlet operators for spins, the simplex solid construction is based on N -simplex singlet operators for spins. In both cases, a discrete one-parameter family of translationally-invariant models with exactly solvable ground states is defined on any regular lattice, and the equal time ground state correlations are given by the finite temperature correlations of an associated classical model on the same lattice, owing to the product form of the wave functions when expressed in a coherent state representation. We study these classical companion models via a mix of Monte Carlo simulations, mean-field arguments, and low-temperature effective field theories. Our analysis reveals that the ground states of edge- and face-sharing cubic lattice simplex solid models are long range ordered for sufficiently large values of the discrete parameter, whereas the ground states of the models on the kagome (2D) and hyperkagome (3D) lattices are always quantum disordered. The kagome simplex solid exhibits strong local order absent in its three-dimensional hyperkagome counterpart, a contrast that we rationalize with arguments similar to those leading to ‘order by disorder’.
Condensed matter systems undergoing phase transitions rarely allow exact solutions. The presence of disorder renders the situation even worse but collective Monte Carlo methods and parallel algorithms allow numerical descriptions. This thesis considers classical phase transitions in disordered spin systems in general and in effective models of superfluids with disorder and novel interactions in particular. Quantum phase transitions are considered via a quantum to classical mapping. Central questions are if the presence of defects changes universal properties and what qualitative implications follow for experiments. Common to the cases considered is that the disorder maps out correlated structures. All results are obtained using large-scale Monte Carlo simulations of effective models capturing the relevant degrees of freedom at the transition.Considering a model system for superflow aided by a defect network, we find that the onset properties are significantly altered compared to the λ-transition in 4He. This has qualitative implications on expected experimental signatures in a defect supersolid scenario.For the Bose glass to superfluid quantum phase transition in 2D we determine the quantum correlation time by an anisotropic finite size scaling approach. Without a priori assumptions on critical parameters, we find the critical exponent z=1.8±0.05 contradicting the long standing result z=d.Using a 3D effective model for multi-band type-1.5 superconductors we find that these systems possibly feature a strong first order vortex-driven phase transition. Despite its short-range nature details of the interaction are shown to play an important role.Phase transitions in disordered spin models exposed to correlated defect structures obtained via rapid quenches of critical loop and spin models are investigated. On long length scales the correlations are shown to decay algebraically. The decay exponents are expressed through known critical exponents of the disorder generating models. For cases where the disorder correlations imply the existence of a new long-range-disorder fixed point we determine the critical exponents of the disordered systems via finite size scaling methods of Monte Carlo data and find good agreement with theoretical expectations.
This thesis investigates properties of classical and quantum spin systems on lattices. These models have been widely studied due to their relevance to condensed matter physics. We identify the ground states of an antiferromagnetic RP2 model, these ground states are very di�erent from the ferromagnetic model and there was some disagreement over their structure, we settle this disagreement. Correlation inequalities are proved for the spin- 1/2 XY model and the ground state of the spin-1 XY model. This provides fresh results in a topic that had been stagnant and allows the proof of some new results, for example existence of some correlation functions in the thermodynamic limit. The occurrence of nematic order at low temperature in a quantum nematic model is proved using the method of reflection positivity and infrared bounds. Previous results on this nematic order were achieved indirectly via a probabilistic representation. This result is maintained in the presence of a small antiferromagnetic interaction, this case was not previously covered. Probabilistic representations for quantum spin systems are introduced and some consequences are presented. In particular, N´eel order is proved in a bilinear-biquadratic spin-1 system at low temperature. This result extends the famous result of Dyson, Lieb and Simon [35]. Dilute spin systems are introduced and the occurrence of a phase transition at low temperature characterised by preferential occupation of the even or odd sublattice of a cubic box is proved. This result is the first of its type for such a mixed classical and quantum system. A probabilistic representation of the spin-1 Bose-Hubbard model is also presented and some consequences are proved.