This doctoral thesis studies low dimensional quantum systems that can be realized in recent cold atom experiments. From the viewpoint of quantum statistical mechanics, the main emphasis is on the detailed study of the different quantum and thermal phases and their transitions using numerical methods, such as quantum Monte Carlo and the Tensor Network Renormalization Group. The first part of this work deals with a lattice Boson model subject to strong three-body losses. In a quantum-Zeno like manner, a dynamical three-body constraint arises that restricts the evolution of the quantum system to the subspace with at most two particles per site i.e., three-body losses will be suppressed. Its low-energy description by a Feshbach model leads to the appearance of a pair condensate phase with intriguing quantum critical properties controlled by the Coleman-Weinberg mechanism. A comprehensive numerical study, presented in Chapter 3, identifies the pair phase and provides evidence for an unconventional Berezinksii-Kosterlitz-Thouless transition due to the unbinding of half-vortices. The study of the pair phase with worm-like algorithms turns out to be challenging and an extension of the directed loop algorithm is presented that overcomes the sampling limitations posed by the appearance of fat-tail distributions. In the following chapters, attention is drawn to lattice systems of polar molecules in optical lattices. Their intriguing dipolar interaction and sensitivity towards external fields make them ideal candidates to realize new states of matter. Particularly, it has been shown that one can drive these systems into a regime where the interaction is dominated by competing two- and three-body potentials. First, the triangular lattice supersolid is considered in Chapter 4. An extensive numerical study combined with a detailed symmetry analysis answers the question of the nature of the supersolid quantum nucleation transition. Following this discussion, Chapter 5 investigates whether the characteristic features of this model persist in the presence of interactions for a realistic system with polar molecules. The three-body interaction regime in a honeycomb Bose-Hubbard model turns out to give rise to a set of highly complex phases in terms of valence bond solids and leads to frustration. Chapter 6 studies the phase diagram and shows how the competition between two- and three-body interactions exhibiting a cascade of phases in the regime of intermediate couplings. In addition, it is demonstrated how the Tensor Network Renormalization Group can be applied to systems with multibody interactions and generic algorithmic limitations are described. Finally, preliminary results concerning the effect of quantum disorder on the triangular supersolid and recent calculations for the entropy of one-dimensional trapped SU(N) Hubbard models are discussed in Chapter 7.
This doctoral thesis studies low dimensional quantum systems that can be realized in recent cold atom experiments. From the viewpoint of quantum statistical mechanics, the main emphasis is on the detailed study of the different quantum and thermal phases and their transitions using numerical methods, such as quantum Monte Carlo and the Tensor Network Renormalization Group. The first part of this work deals with a lattice Boson model subject to strong three-body losses. In a quantum-Zeno like manner, a dynamical three-body constraint arises that restricts the evolution of the quantum system to the subspace with at most two particles per site i.e., three-body losses will be suppressed. Its low-energy description by a Feshbach model leads to the appearance of a pair condensate phase with intriguing quantum critical properties controlled by the Coleman-Weinberg mechanism. A comprehensive numerical study, presented in Chapter 3, identifies the pair phase and provides evidence for an unconventional Berezinksii-Kosterlitz-Thouless transition due to the unbinding of half-vortices. The study of the pair phase with worm-like algorithms turns out to be challenging and an extension of the directed loop algorithm is presented that overcomes the sampling limitations posed by the appearance of fat-tail distributions. In the following chapters, attention is drawn to lattice systems of polar molecules in optical lattices. Their intriguing dipolar interaction and sensitivity towards external fields make them ideal candidates to realize new states of matter. Particularly, it has been shown that one can drive these systems into a regime where the interaction is dominated by competing two- and three-body potentials. First, the triangular lattice supersolid is considered in Chapter 4. An extensive numerical study combined with a detailed symmetry analysis answers the question of the nature of the supersolid quantum nucleation transition. Following this discussion, Chapter 5 investigates whether the characteristic features of this model persist in the presence of interactions for a realistic system with polar molecules. The three-body interaction regime in a honeycomb Bose-Hubbard model turns out to give rise to a set of highly complex phases in terms of valence bond solids and leads to frustration. Chapter 6 studies the phase diagram and shows how the competition between two- and three-body interactions exhibiting a cascade of phases in the regime of intermediate couplings. In addition, it is demonstrated how the Tensor Network Renormalization Group can be applied to systems with multibody interactions and generic algorithmic limitations are described. Finally, preliminary results concerning the effect of quantum disorder on the triangular supersolid and recent calculations for the entropy of one-dimensional trapped SU(N) Hubbard models are discussed in Chapter 7.
This thesis presents computational studies of three different models of many-body physics with direct or indirect constraints. The presence of constraints in complex many-body systems calls for non-trivial numerical algorithms to study them. The first two models which have a direct form of local constraint are the Rokhsar-Kivelson Quantum Dimer model (QDM) and a classical statistical mechanics model of non-intersecting loops with attractive interactions, both on the square lattice. The investigations of such constrained models have found a recent resurgence with their direct realizations on Rydberg atom arrays quantum simulators. The study of the classical model uses a Monte Carlo directed loop algorithm while the QDM calls for a novel Quantum Monte Carlo scheme based on the framework of Stochastic Series Expansions called the Sweeping Cluster Algorithm (SCA). We present a modification of the SCA in order to render simulations fully ergodic at finite temperature. For both models, our numerical studies show the existence of a critical phase separated by a phase transition at finite temperature to an ordered phase of dimers or loops which spontaneously breaks certain lattice symmetries. We show that for the case where the interaction is attractive this phase transition is of Kosterlitz-Thouless type and can be understood by constructing a coarse-grained field theory through a height mapping. The finite temperature phase diagram of the QDM presents an unusual re-entrance behavior in the critical phase. The final part of this thesis deals with the role of non-abelian symmetries in the thermalization process of quantum many-body systems. We study the high-energy eigenstates of a SU(3) symmetric spin chain in presence of disorder. While the model does not directly have constraints, we perform exact diagonalization in a constrained basis of Young tableau making use of the full SU(3) symmetry of the model. By looking at the commonly used probes for thermalization (spectral statistics, distribution of local observables and scaling of entanglement entropy), we show that the model exhibits a non-ergodic regime over a broad range of system sizes for strong enough disorder, contrasting with the rapid thermalization observed at weak disorder.
This thesis is divided into two parts. In the first part we study quantum phases in bosonic systems in an optical lattice by using numerical unbiased Quantum Monte Carlo (QMC) method. Ultracold atoms experiments in optical lattices provide a possibility to simulate the materials of condensed matter in a clean and well-controled way. We focus on two components bosonic systems where exotic phases such as pair-superfluid and pair-supersolid appear. In the second part we provide numerical methods based on QMC simulations to study the entanglement properties of strong correlated systems. By employing the replica trick, we reconstruct the entanglement spectrum from the Renyi entropies. Furthermore, we study the trace of the power of the partial transposed reduced density matrix, which is related to the entanglement measurement negativity for mixed states. In the following we briefly summarize each chapter. In Chapter 1 we very briefly introduce the cold atom systems and the connection with QMC simulations. In Chapter 2 we review the QMC method based on the path integral (world line) representation. We focus on the directed worm algorithm which is an efficient algorithm with global updtae for bosonic and spin systems. All the following methods in this thesis – the method of two component bosonic systems, the reconstruction of entanglement spectrum and the measuring of partial transposed quantities, are based on directed worm algorithm introduced in this chapter. In Chapter 3 we discuss two component bosons in a square lattice. We show that the interspecies attraction and nearest-neighbor intraspecies repulsion result in the pair-supersolid phase, where a diagonal solid order coexists with an off-diagonal pair-superfluid order. The quantum and thermal transitions out of the pair-supersolid phase are characterized. It is found that there is a direct first-order transition from the pair-supersolid phase to the double-superfluid phase without an intermediate region. Furthermore, the melting of the pair-supersolid occurs in two steps. Upon heating, first the pair-superfluid is destroyed via a Kosterlitz-Thouless transition, then the solid order melts via an Ising transition. In Chapter 4 we represent a new method to reconstruct a subset of the entanglement spectrum of quantum many body systems by QMC, where the method can in principle be applied to two or higher dimension. The approach builds on the replica trick to evaluate particle number resolved traces of the first n of powers of a reduced density matrix. From this information we reconstruct first n entanglement spectrum levels using a polynomial root solver. We illustrate the power and limitations of the method by an application to the extended Bose-Hubbard model in one dimension where we are able to resolve the quasidegeneracy of the entanglement spectrum in the Haldane-insulator phase. In general, the method is able to reconstruct the largest few eigenvalues in each symmetry sector. In Chapter 5 we devise a Quantum Monte Carlo (QMC) method to calculate the moments of the partially transposed reduced density matrix at finite temperature. These are used to construct scale invariant combinations that are related to the negativity, a true measure of entanglement for two intervals embedded in a chain. In particular, we study several scale invariant combinations of the moments for the 1D hard-core boson model. For two adjacent intervals unusual finite size corrections are present, showing parity effects that oscillate with a filling dependent period. For large chains we find perfect agreement with conformal field theory (CFT) calculations. Oppositely, for disjoint intervals corrections are more severe and CFT is recovered only asymptotically. Furthermore, we provide evidence that their exponent is the same as that governing the corrections of the mutual information. Additionally we study the 1D Bose-Hubbard model in the superfluid phase. The finite-size effects are smaller and QMC data are already in impressive agreement with CFT at moderate large sizes.
In this dissertation I present results for lattice boson systems based on quantum Monte Carlo simulations by the Worm algorithm. Lattice bosons can be realized by ultracold gases in optical lattices and, under certain conditions, they are described by the Bose-Hubbard model. I will discuss the ground state, i.e. the phase diagram and properties of elementary excitations, as well as finite temperature thermodynamic properties of the two- and three-dimensional systems. These results provide bench-marks and guidance for experimentalists. I will also discuss the phase diagram of the one-dimensional hard-core Bose-Hubbard model with three-body interactions. The model is realized by cold polar molecules in optical lattices. The ground state presents a novel solid phase at unconventional filling, characterized by coexisting charge density wave and bond orders. Such phase has not been predicted by the preexisting mean field theory.
The research work in this thesis is based on strongly interacting quantum lattice systems. The biggest part of research was conducted using state-of-the-art tensor network simulations. Tensor networks provide efficient and highly accurate representations of quantum states when any simply connected patch of the quantum state is slightly entangled. Matrix Product States (MPS) is a tensor network representation for quantum states which is quasi-exact for one-dimensional systems when entanglement entropy of any bipartition of the state follows ``area-law". Projected Entangled Pair States (PEPS) is the extension of MPS for higher dimensional systems, where entanglement entropy area-law is non-trivial. These formalisms and their relevant ground state optimization techniques, Density Matrix Renormalization Group (DMRG) for MPS and Simple Update (SU) with Tensor Renormalization Group (TRG) for PEPS are thoroughly analysed. Entanglement entropy area-law is usually obeyed by the ground state of local Hamiltonians, while generic highly excited states follow a volume-law (they span a finite part of the Hilbert space). Recently, a class of interacting system was shown to undergo a dynamical phase transition (Many Body Localization) where the entropy of every eigenstate follows an area-law. This transition is achieved when the system is highly disordered and the quantum many body state becomes localized similarly to the free particle Anderson localization. The area-law property makes highly excited eigenstates of Many Body Localized (MBL) systems efficiently represented by the MPS ansatz. We develop a highly optimized algorithm (eDMRG) which goes beyond ground state optimization and successfully target eigenstates in any part of the spectrum. This algorithm is used together with analytical calculations, based on local integrability of MBL systems, to identify the universal behaviour of the entanglement spectrum of highly excited eigenstates in MBL systems. In the second part we study interacting bosons in 2D optical lattices. Strongly interacting bosons are simulated using the Bose-Hubbard (BH) model when the interactions are strictly local and the Extended Bose-Hubbard (EBH) model, when additional dipolar interactions are present. The ground states of BH/EBH Hamiltonians in a hexagonal lattice are studied. The phase spectrum includes various insulating and critical phases which are studied in detail using infinite-PEPS ansatz. Additional results on entanglement entropy scaling with respect to the filling of the lattice are presented. Finally, a strongly interacting Harper-Hofstadter Hamiltonian is realized by combining synthetic fields with the BH model. The homogeneity of the system is then broken by a parabolic trapping potential, similar to the ones used in cold atom experiments. Using time-dependent Gutzwiller ansatz (GA) the expansion dynamics of the cloud in large square lattices are studied. In contrast to the expansion dynamics of the BH model, it is found that the synthetic fields generate a self-trapping effect. Using phenomenology and simulations the dynamics are studied in the hard-core and soft-core limit.
Disorder is ubiquitous in condensed matter systems, but a thorough understanding of these systems is hindered by poor control over the nature of disorder and competing interactions. Ultracold gases trapped in optical lattices, on the other hand, offer an unprecedented level of control over interactions and disorder, and are ideal candidates to test theoretical predictions and study fascinating phenomena resulting from the interplay between disorder, interaction, and quantum degeneracy. In this dissertation, I present my research on strongly correlated many-body lattice bosons in the presence of disordered potentials. My results are based on quantum Monte Carlo simulations by the Worm algorithm. Experimentally, lattice bosons can be realized by ultracold gases in optical lattices. I studied the ground state phase diagram of the above systems in the presence of diagonal (quasi-periodic disordered potential or random disordered potential) and off-diagonal disorder (in the form of site dilution). First, I will discuss the ground state phase diagram of two-dimensional bosons in quasi-periodic lattices. Then, I will discuss the phase diagram as well as finite temperature thermodynamic properties of two-dimensional dipolar lattice bosons in the presence of random diagonal disordered potentials. Finally, I will discuss the phase diagram of two-dimensional hard-core lattice bosons system in the presence of long-range hopping and long-range two-body interactions both in the absence of disorder and in the presence of site dilution (equivalent to off-diagonal disorder). This system is equivalent to the long-range XXZ model as realized by polar molecules trapped in a deep optical lattice. These results provide theoretical guidance for experimentalists to find quantum phase transitions as well as exotic quantum phases in strongly correlated bosonic lattice systems.
We study the phase diagram of ultra-cold bosonic polar molecules loaded on a two-dimensional optical lattice of hexagonal symmetry controlled by external electric and microwave fields. Following a recent proposal in (Büchler et al 2007 Nat. Phys. 3 726), such a system is described by an extended Bose–Hubbard model of hard-core bosons that includes both extended two- and three-body repulsions. Using quantum Monte-Carlo simulations, exact finite cluster calculations and the tensor network renormalization group, we explore the rich phase diagram of this system, resulting from the strongly competing nature of the three-body repulsions on the honeycomb lattice. Already in the classical limit, they induce complex solid states with large unit cells and macroscopic ground-state degeneracies at different fractional lattice fillings. For the quantum regime, we obtain effective descriptions of the various phases in terms of emerging valence bond crystal states and quantum dimer models. Furthermore, we access the experimentally relevant parameter regime and determine the stability of the crystalline phases towards strong two-body interactions.