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Quantum Phase Transitions and Dynamics in Strongly Correlated Systems: An Infinite Matrix Product State Approach

Sievers, Pascal

Published Jan 1, 2025• 0 citations
OpenAlex

Abstract

This thesis explores non-equilibrium phenomena in strongly correlated quantum systems, focusing on the half-filled one-dimensional Hubbard model at zero temperature in the thermodynamic limit. Using tensor network methods, particularly infinite matrix product states (iMPS), we simulate the real-time dynamics induced by optical pump pulses. A laser pulse is modeled by a time-dependent vector potential applied via the Peierls substitution, with dynamics computed using the infinite time-evolving block decimation (iTEBD) algorithm. We investigate the emergence of a superconducting-like eta-pairing state with off-diagonal long-range order (ODLRO) and confirm that eta-pairing correlations are significantly enhanced for certain pulse parameters. Additionally, signatures of dynamical quantum phase transitions (DQPTs) are observed in the Loschmidt echo rate function. Finite-entanglement scaling is employed to extract the central charge and analyze criticality of the ground state.

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Communications in Theoretical Physics•Aug 1, 2012•8 citations
This thesis explores non-equilibrium phenomena in strongly correlated quantum systems, focusing on the half-filled one-dimensional Hubbard model at zero temperature in the thermodynamic limit. Using tensor network methods, particularly infinite matrix product states (iMPS), we simulate the real-time dynamics induced by optical pump pulses. A laser pulse is modeled by a time-dependent vector potential applied via the Peierls substitution, with dynamics computed using the infinite time-evolving block decimation (iTEBD) algorithm. We investigate the emergence of a superconducting-like eta-pairing state with off-diagonal long-range order (ODLRO) and confirm that eta-pairing correlations are significantly enhanced for certain pulse parameters. Additionally, signatures of dynamical quantum phase transitions (DQPTs) are observed in the Loschmidt echo rate function. Finite-entanglement scaling is employed to extract the central charge and analyze criticality of the ground state.
The study of low-dimensional, strongly-interacting quantum systems has been of interest in the past few decades due to new and exotic physics that show great potential in the advancement of fundamental physics as well as technological applications. In order to investigate such systems, a vast number of techniques have been developed throughout the years, all of which have their respective strengths and weaknesses. In the world of one-dimensional (1D) quantum systems, the density-matrix renormalization group (DMRG) algorithm and matrix product states (MPS) have proven to be powerful and reliable tools that provide invaluable information while providing a wide range of data that support both theoretical and experimental studies. Coupled with the development and refinement of tensor networks - an ansatz for quantum many-body wavefunctions, in particular MPS, the DMRG algorithm has seen a spike of improvements that has pushed the boundaries of its application into more sophisticated and complex systems.This thesis broadly covers the study of several 1D many-body quantum systems represented by infinite MPS (iMPS) - a class of ansatz that represent translationally-invariant, 1D many-body quantum states. More specifically, it is divided into two main parts.The first part investigates the 1D topological Kondo insulator (TKI). This is an effective model designed to investigate how strong interactions between conduction electrons and localized moments result in a symmetry-protected topological (SPT) phase, specifically the Haldane phase. By studying the effect of the electron repulsion as well as the competition between the local and non-local couplings between the electrons and the local moments, it is found that a topological phase transition from the SPT phase to a topologically trivial phase occurs with the assistance of electron interaction. The properties of both topologically trivial and nontrivial groundstates were revealed via means of quantum information theoretic quantities such as the entanglement entropy, entanglement spectrum and non-local order parameters. These quantities unveil the nature, structure and the effect that the different interactions have on the groundstate properties. Besides the phases, the properties of the critical point was studied and classified. By obtaining the critical exponents and central charge, the universality class of this transition was found to be that of 1D free fermions/bosons. Furthermore, the presence of electron interactions was found not to alter this universality class.The second part of this thesis is a project that stems from the necessity to overcome the inherent limitation of an iMPS in representing a system at a cusp of a quantum phase transition (QPT), specifically, in determining the critical point and exponents. In the thermodynamic limit, the laws of statistical mechanics dictates that the system’s correlation length diverges at the critical point. However, when representing a critical state with an iMPS, the finite bond dimension implies that the correlation length of the iMPS remains finite, albeit large. This presents a fundamental challenge in extracting critical data since the critical exponents are defined for systems in the thermodynamic limit. To overcome this shortcoming, finite-entanglement scaling (FES) - the analog of finite-size scaling, has previously been used to locate the critical point and extract the critical exponents for systems represented by finite-bond dimensional iMPS. While FES serves its purpose sufficiently well, the computational cost is high for just about any moderately complex, real-world system. To overcome such difficulties, the second part of this thesis combines new ideas of using higher-order cumulants of the order parameter with previously-known iMPS techniques to determine the critical point and extract the exponents, thus relating statistical mechanics of QPTs and tensor networks of critical states. Some of the main methods used and developed here are FES, the application of the Binder cumulant in iMPS and the new cumulant exponent relation. Putting these tools together provides a scheme that can be used to efficiently locate the critical point and extract the critical exponents at a lower computational cost than previously-known methods. This is shown through comparisons of several exemplary models such as the 1D and quasi-1D transverse field Ising model, the 1D TKI, the S = 1 Heisenberg chain with single-ion anisotropy and the 1D Bose-Hubbard model.
The study of interacting quantum many-body systems is one of the central challenges in modern physics. Interestingly, by understanding the physical properties of such systems from a microscopic description, one can explain many complex quantum phenomena such as the high-temperature superconductivity, fractional quantum Hall effect, etc. However, due to high complexity of these systems, theoretical investigations such as analytical and perturbation theories are limited to studying only a small subset of problems. In the past few decades, numerical simulation has emerged as an indispensable method for studying many phenomena, and has led to immense success and progress in recent years. The main obstacle in addressing quantum many-body systems is that the number of parameters required to represent a state of the system scales exponentially with the system size. However, one hardly needs the full Hilbert space but only a small subspace to describe physical properties of the system. From the point of view in quantum information theory, quantum entanglement is one of the main factors that is responsible for the complexity of studying quantum many-body systems. In particular, the amount of quantum entanglement in such system quantifies the correlation between constituents and therefore it determines how big the subspace is required to represent the system. In this thesis, we are interested in using tensor network states, a new emerging numerical technique to study dynamical and ground state properties of the system. The key ingredient is that a tensor network state which consists of a fairly small number of parameters can represent very well the complete wave function of a system. In one spatial dimension, Matrix Product State (MPS) has become a standard tool, combined with related algorithms such as Time Evolving Block Decimation algorithm (TEBD) to study dynamical properties of a locally-perturbed quantum lattice system. In this thesis, we introduce a technique called ``infinite boundary conditions'' that allows us to use a finite-size MPS to represent the state of an infinite-size system. As a result, one can simulate dynamics of a system for a longer time with a significant computational cost reduction compared to traditional methods. In two spatial dimensions, the tensor network known as Projected Entangled Pair States (PEPS) is emerging as a useful approach. However algorithms for optimizing the matrix elements of these tensors are complex and not very efficient. In particular, the efficiency of the optimization depends critically on the quality of the so-called ``environment'', which is expensive to compute. We have introduced a new method to accelerate the convergence of calculating the PEPS ground state by recycling the environment tensors for many optimization steps, vastly reducing the number of times that the full environment needs to be calculated.
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.
The nonequilibrium effects of dissipation and drive play a key role in an immense variety of nanoscale and mesoscale quantum systems. To understand the behaviour of open quantum systems, we need accurate methods that capture the influence of the environment on the system, while managing the exponentially large Hilbert space required to describe the system. Tensor network algorithms offer an efficient way to approach this challenge. In this thesis, we develop and apply tensor network techniques to study the dynamics and steady states of various open quantum systems. The first part of the thesis focuses on the driven dissipative many body physics in coupled cavity arrays described by Born-Markov master equations. We extend transfer matrix product operator methods to Liouvillian dynamics, and utilize them to compute dynamical correlation functions and fluorescence spectrum of an infinite coupled cavity array in 1D. We also investigate thermalization, and observe the emergence of a quasi-thermal steady state with a negative effective temperature. In another study, we use infinite projected entangled pair state (iPEPS) methods to compute steady states of coupled cavity lattices in 2D. We find that a straightforward adaptation of iPEPS to Liouvillian dynamics is unstable, contradicting a recent publication in the field. The second part investigates more general systems involving strong couplings and structured environments that induce non-Markovian dynamics. We develop a powerful time-evolving matrix product operator (TEMPO) algorithm that builds on Feynman-Vernon influence functional formalism, and uses matrix product states (MPS) to represent the temporal non-Markovian correlations efficiently. We apply TEMPO to study the localization phase transition of the spin-boson model and the dynamics of two spatially separated two-level systems coupled to a common environment. Finally, we propose the Toblerone TEMPO algorithm, which extends TEMPO to many-body systems interacting with general bosonic environments.
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.
The matrix product state (MPS) is utilized to investigate the ground state properties and quantum phase transitions (QPTs) of the dimerized antiferromagnetic Heisenberg (DAH) model. The ground state MPS wavefunctions determined by the infinite time-evolving block decimation (iTEBD) algorithm are shown to be very efficient descriptions of DAH model. In the thermodynamic limit, the quantum entanglement, the bond energy, and the nearest-neighbor correlations are calculated. It is revealed that the singular behavior of the bipartite entanglement can detect the QPTs directly. The critical point J c 2 = 1.0 is determined evidently, and the quantum phase transition is argued to belong to the second-order category. At the critical point, logarithmic divergent character of the block entanglement is observed, and the system can be described by a free bosonic field theory.