The thesis contains theoretical study of number of systems in low dimension, which are related to quantum Ising model. The main results are emergence of Majorana fermions in condensed matter system. We discuss an array of cavity-QED system, describing atom-photon (spin-boson) interacting problem, namely Rabi lattice model, and calculated its phase diagram. More importantly we showed that in any dimension, the system has Ising dynamics in strong atom-photon coupling limit. For 1D, a special relation between end-to-end spin-spin correlation is presented, which is very much different form the bulk spin-spin correlation. The entanglement between cavities is calculated and shown to have maximum value at the phase transition point. Other problems we studied were the frustrated quantum Ising model and its phase diagram as well as existence of Majorana like edge modes in different phases of the model. The fermionic version of the frustrated quantum Ising problem is also presented. On a different but related note, we present some beautiful results on Falicov Kimball (FK) model, a fermionic model similar to Hubbard model, on a square lattice. Using a canonical representation for electrons (invented by Brijesh Kumar), the FK model is mapped to classical Ising model (at infinite Hubbard interaction limit) on 2D lattice. We performed classical Monte Carlo simulation to study magnetization as a function of Hubbard interaction and also as a function of temperature. The motivation was to study (quantum) charge fluctuation (thus, quantum fluctuation of top of classical Ising thermodynamics) due to finite Hubbard interaction term. We also devote a chapter for basic numerical techniques, such as Density matrix Renormalization Group method, Exact diagonalization for spin system and classical Monte Carlo simulation (for classical 2D Ising model), which we have used in this thesis.
The thesis contains theoretical study of number of systems in low dimension, which are related to quantum Ising model. The main results are emergence of Majorana fermions in condensed matter system. We discuss an array of cavity-QED system, describing atom-photon (spin-boson) interacting problem, namely Rabi lattice model, and calculated its phase diagram. More importantly we showed that in any dimension, the system has Ising dynamics in strong atom-photon coupling limit. For 1D, a special relation between end-to-end spin-spin correlation is presented, which is very much different form the bulk spin-spin correlation. The entanglement between cavities is calculated and shown to have maximum value at the phase transition point. Other problems we studied were the frustrated quantum Ising model and its phase diagram as well as existence of Majorana like edge modes in different phases of the model. The fermionic version of the frustrated quantum Ising problem is also presented. On a different but related note, we present some beautiful results on Falicov Kimball (FK) model, a fermionic model similar to Hubbard model, on a square lattice. Using a canonical representation for electrons (invented by Brijesh Kumar), the FK model is mapped to classical Ising model (at infinite Hubbard interaction limit) on 2D lattice. We performed classical Monte Carlo simulation to study magnetization as a function of Hubbard interaction and also as a function of temperature. The motivation was to study (quantum) charge fluctuation (thus, quantum fluctuation of top of classical Ising thermodynamics) due to finite Hubbard interaction term. We also devote a chapter for basic numerical techniques, such as Density matrix Renormalization Group method, Exact diagonalization for spin system and classical Monte Carlo simulation (for classical 2D Ising model), which we have used in this thesis.
Strongly correlated systems, i.e., quantum materials for which the interactions between its constituents are strong, are good candidates for the development of applications based on quantum-mechanical principles, such as quantum computers. Two paradigmatic models of strongly correlated systems are heavy-fermionic systems and one-dimensional spin-12 systems, with and without quenched disorder. In the past decade, improvement in computational methods and a vast enhancement in computational power has made it possible to study these systems in a a non-perturbative manner. In this thesis we present state-of-the-art numerical methods to investigate the properties of strongly correlated systems, and we apply these methods to solve a couple of selected problems in quantum condensed matter theory. We start by revisiting the phase diagram of the Falicov-Kimball model on the square lattice which can be considered as a heavy-fermionic systems. This model describes an interplay between conduction electrons and heavy electrons and reveals several distinct metal-insulator phase transitions. Using a lattice Monte-Carlo method, we study the transport properties of the model. Our analysis describes the role of temperature and interaction strength on the metal-insulator phase transitions in the Falicov-Kimball model. The second part of the thesis investigate the spatial structure of the entanglement in ground and thermal statesof the transverse-field Ising chain. We use the logarithmic negativity as a measure for the entanglement between two disjoint blocks. We investigate how logarithmic negativity depends on the spatial separation between two blocks, which can be viewed as the entanglement analog of a spatial correlation function. We find sharp entanglement thresholds at a critical distance beyond which the logarithmic negativity vanishes exactly and thus the two blocks become unentangled. Our results hold even in the presence of long-ranged quantum correlations, i.e., at the system’s quantum critical point. Using Time-Evolving Block Decimation (TEBD), we explore this feature as a function of temperature and size of the two blocks. We present a simple model to describe our numerical observations. In the last part of this thesis, we introduce an order parameter for a many-body localized spin-glass (MBL-SG) phase. We show that many-body localized spin-glass order can also be detected from two-site reduced density matrices, which we use to construct an eigenstate spin-glass order parameter. We find that this eigenstate spin-glass order parameter captures spin-glass phases in random Ising chains, both in many-body eigenstates as well as in the nonequilibrium dynamics, from a local in time measurement. We discuss how our results can be used to observe MBL-SG order within current experiments in Rydberg atoms and trapped ion systems.
Many strongly correlated quantum systems are difficult to study numerically because of the exponential growth of the Hilbert space combined with the failure of numerical methods in important parameter regimes. This includes the long-standing problems of high-temperature superconductivity and frustrated magnetism. A promising solution to this dilemma are quantum simulators, well-controlled (synthetic) quantum systems, emulating model Hamiltonians not only of condensed matter systems, where parameters can be tuned at will and model complexity can be added step by step. This dissertation presents numerical simulation studies that are motivated by quantum simulators. Using large-scale quantum Monte Carlo computer simulations and mean-field theory the semiquantitative ground state phase diagram of a Penning ion trap quantum simulator, realizing a two-dimensional model of quantum magnetism with long-range interactions, is obtained. We study also thermal and quantum phase transitions in one-dimensional transverse-field Ising models with long-range interactions, which exhibit a Kosterlitz-Thouless transition and universality classes with continuously varying critical exponents. The second part of this thesis is concerned with the Fermi-Hubbard model, which has been realized recently with ultracold atoms in optical lattices, both for repulsive and attractive interactions. Equipped with a quantum gas microscope, which allows single-site single-atom detection, these experimental setups can collect histograms of the particle number from repeated projective measurements. This dissertation presents a method to compute such full counting statistics for quadratic operators such as particle number or magnetization in the framework of determinantal quantum Monte Carlo. From an analysis of the full counting statistics of the particle number for different subsystem sizes the size of preformed pairs or Cooper pairs in the attractive Hubbard model is inferred. Furthermore, excellent agreement of the numerically computed probability distribution of the staggered magnetization with a recent quantum gas experiment demonstrates that current experiments are capable of resolving the differences between the Hubbard model and its limiting Heisenberg model. An extensive method section reviews the stochastic series expansion quantum Monte Carlo method for Ising models in a transverse field, which is free of the sign problem for arbitrary interactions, with special emphasis on the efficient simulation of long-range interactions. Also a self-contained introduction to the determinantal quantum Monte Carlo method is provided.
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.
The progress of ultracold atoms renders numerous possibilities to investigate exotic magnetism and superfluidity, which are rarely observed in solid state systems. In this thesis, we will introduce two novel physical descriptions: "frustrated Cooper pairing" and "large-hyperfine spin physics". Geometric frustration in quantum magnetism refers to which magnetic interactions on different bonds cannot be simultaneously minimized, and usually Cooper pairing favors uniform phases among different lattice sites. Here, we introduce "frustration" in Cooper pairing in a fermionic p-orbital model. By mean- field calculations, we show that the system exhibits behavior analogous to frustrated magnetism, and an unconventional supersolid state with the f-wave symmetry. Next, we introduce large-spin physics. In usual condensed matter systems, large spin is not intriguing because large values of spin suppress quantum fluctuations. In contrast, in ultracold fermion systems, large-hyperfine spin enhances quantum fluctuations and brings exotic quantum magnetism. Here the simplest large-spin fermionic system, a spin-3/2 exchange system is proposed, which can be characterized by an Sp(4)/SO(5) symmetry. In one dimension, the ground states exhibit either a dimerized state with a finite spin gap or a gapless spin liquid state by means of the density matrix renormalization group method. In the latter case, the spin-spin correlation functions are identified to have 4-site periodicities, which behaves similarly to the SU(4) chain. In two dimension, we infer that there exist three competing phases: Neel ordering, columnar dimerization and 2 x 2 plaquette formation, in the thermodynamic limit by exact diagonalization calculation on small sizes. Finally we perform the projector Quantum Monte Carlo method to study another large-spin system: the half-filled SU(N) Hubbard model. We show that at half-filling there is no sign problem such that our simulations are accurate. By finite size scaling, it is clearly found that the magnetic Neel ordering can exist not only for N = 2 but also in the N = 4 case at strong interactions. For N ̲> 6 or N = 4 at small U, the numerical results do not have any prominent signal that the long-range ordering exists in the thermodynamic limit. Due to strong finite size effects and finite numerical accuracy, however, we are unable to make any conclusion to identify the physics in the regimes
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.
The physics of strongly interacting particles is often extraordinarily rich, leading to the \textit{emergence} of fundamentally new phases and phenomena that cannot exist in the absence of correlations. This thesis is devoted to the study of different classes of quantum systems with such strong correlations. Programmable quantum simulators based on Rydberg atom arrays have recently emerged as versatile platforms to probe quantum many-body phases and their dynamics. In Chapter 2, we start with theories of quantum phase transitions (QPTs) in one-dimensional chains of Rydberg atoms. We demonstrate the existence of a novel QPT in the universality class of the Z3 chiral clock model, calculate its critical exponents, and discuss their measurement with the quantum Kibble-Zurek mechanism. Proceeding to two dimensions, Chapter 3 describes the zero-temperature phase diagram of a square-lattice Rydberg atom array, revealing several experimentally realizable density-wave-ordered phases and QPTs. For a different geometry, namely, the kagome lattice studied in Chapter 4, we identify a regime that constitutes a likely candidate for hosting a phase with long-range quantum entanglement and topological order. Based on mappings to dimer models and gauge theories, we argue for the existence of a quantum spin liquid phase that has proved elusive in solid-state materials. In the next part of this thesis, we focus on similarly strongly correlated phases in the realm of quantum materials. Motivated by recent observations of an enhanced thermal Hall response in the high-temperature cuprate superconductors, in Chapter 5, we study the thermal Hall conductivity, κxy, of chiral spin-liquid ans\"{a}tze on the square lattice, focusing on the contribution from neutral (bosonic or fermionic) spinons. Thereafter, going beyond mean-field theory, we consider the corrections due to emergent gauge fields, which yield a response of opposite sign to that of the fermionic matter. We additionally consider the contribution of phonons to κxy and establish its relation to the spinon Hall viscosity. Thermal Hall measurements also leave intriguing fingerprints in Kitaev materials like α-RuCl3, and in this context, Chapter 6 investigates the unquantized κxy obtained in a gapless spinon Fermi surface state.