Condensed matter physics, and especially strongly correlated systems provide some of the most challenging problems of modern physics. In these systems, the many-body interactions and correlations between quantum particles cannot be neglected; otherwise, the models would simply fail to capture the relevant physics at play and phenomena ensuing. In particular, the work presented in this manuscript deals with quantum magnetism and addresses several distinct questions through computational approaches and state-of-the-art numerical methods. The interplay between disorder (i.e. impurities) and interactions is studied regarding a specific magnetic compound, where instead of the expected many-body localized phase at high magnetic fields, a novel disorder-induced ordered state of matter is found, with a resurgence of quantum coherence. Furthermore, the dynamical response of quantum magnets to an external perturbation, such as it is accessed and measured in nuclear magnetic resonance and inelastic neutron scattering experiments is investigated.
Condensed matter physics, and especially strongly correlated systems provide some of the most challenging problems of modern physics. In these systems, the many-body interactions and correlations between quantum particles cannot be neglected; otherwise, the models would simply fail to capture the relevant physics at play and phenomena ensuing. In particular, the work presented in this manuscript deals with quantum magnetism and addresses several distinct questions through computational approaches and state-of-the-art numerical methods. The interplay between disorder (i.e. impurities) and interactions is studied regarding a specific magnetic compound, where instead of the expected many-body localized phase at high magnetic fields, a novel disorder-induced ordered state of matter is found, with a resurgence of quantum coherence. Furthermore, the dynamical response of quantum magnets to an external perturbation, such as it is accessed and measured in nuclear magnetic resonance and inelastic neutron scattering experiments is investigated.
Strong correlations arising from interactions between particles are responsible for many phenomena in condensed matter physics, from superconductivity to heavy fermions. An accurate theoretical description of such complex systems requires to solve so-called many-body problems, which are inherently difficult to tackle due to the exponential growth of the underlying Fock space with the size of the system. Usually, single-particle descriptions or perturbation theory at first orders fail to provide satisfactory results in correlated regimes, and pertinent Ansätze or cutting edge numerical methods are required to solvethese problems.Among the wide variety of strongly correlated electronic systems, quantum impurity systems are of central interest. These systems, where a few localized degrees of freedom that undergo strong interactions hybridize with a larger system of free particles, have been widely studied for decades. Beyond their relevance to study dilute dynamic impurities in metals, quantum dots, or more complex nanostructures, they are exploited in a broader class of problems through dynamical mean field theory (DMFT), that is designed for fully interacting lattice problems. Despite the effort devoted to studying of these problems,some questions remain open and new approaches are required to address them.In this thesis, quantum impurity problems are tackled with the use of natural orbitals, a representation rooted in the framework of quantum chemistry. The numerical renormalization group, the standard non-perturbative method to treat these systems, is employed to demonstrate the hierarchical structure of correlations unveiled by natural orbitals. An ansatz for the wavefunction of the ground state is then proposed, separating explicitely a small set of correlated orbitals to a large uncorrelated one, leaving the problem to a few-body complexity. This simplification brought new insights for simulating quantumimpurity problems, and a new algorithm is developed to generate an optimized set of correlated orbitals independently of existing methods, going beyond their usual limitations.In the first place, the algorithm is used to compute the screening cloud in large one-dimensional chains and in a realistic 2D square lattice coupled to a localized adatom. This observable is of great interest to understand the screening mechanism of the magnetic moment of the impurity that plays a central role in transport properties, for unidimensional systems or in bulk metals experiencing RKKY interactions. Spatial correlations were found to be highly non-symmetric, breaking the s-wave picture. In one direction, corre-lations vanish way faster than the usual isotropic correlation length, while on the other one they spread further than this same expected length. This anisotropy suggests that impurities in bulk systems may interact differently depending on their relative positions with respect to the lattice.Taking further advantage of the efficiency of this new algorithm allowed us to perform a statistical study on large systems to investigate correlations around a quantum impurity in a disordered host, averaging over a large amount of realizations, which was not possible with previous approaches. The question motivating this study was the fate of the correlation cloud spreading into the disordered electronic bath. Although spatial correlations are expected to vanish when the disorder increases, long range correlationssurvive to some configurations of the potential, inducing a bimodal structure of probability distribution functions of relevant scales.Finally, these disordered problems are investigated in the non-interacting situation with random matrix theory, which reproduced qualitatively the results obtained before. The joint distribution of one-particle orbitals energies and amplitudes is calculated, which allows to compute any disordered averaged local correlation functions, and calculations in the large-N limit are presented.
The discovery of high-Tc superconductivity in cuprates in 1986 moved strongly correlated systems from exotic worlds interesting only for pure theorists to the focus of solid-state research. In recent decades, the majority of hot topics in condensed matter physics (high-Tc superconductivity, colossal magnetoresistance, multiferroicity, ferromagnetism in diluted magnetic semiconductors, etc.) have been related to strongly correlated transition metal compounds. The highly successful electronic structure calculations based on density functional theory lose their predictive power when applied to such compounds. It is necessary to go beyond the mean field approximation and use the many-body theory. The methods and models that were developed for the description of strongly correlated systems are reviewed together with the examples of response function calculations that are needed for the interpretation of experimental information (inelastic neutron scattering, optical conductivity, resonant inelastic X-ray scattering, electron energy loss spectroscopy, angle-resolved photoemission, electron spin resonance, and magnetic and magnetoelectric properties). The peculiarities of (quasi-) 0-, 1-, 2-, and 3- dimensional systems are discussed.
In magnets with strong quantum fluctuations, paramagnetic ground states with or without confinement of spinon excitations can be realized. Here we discuss the physics of the confined phase in the vicinity of a confinement-deconfinement transition: this regime, likely relevant to a multitude of frustrated spin systems, is characterized by multiple length scales. In addition to the magnetic correlation length, a confinement length can be defined, which can be probed, e.g., by local static measurements near nonmagnetic impurities. We illustrate the ideas by explicit calculations for dimerized spin chains, but our qualitative results remain valid in higher dimensions as well. In particular, we study crossover from weak to strong confinement visible in the antiferromagnetic polarization cloud around a nonmagnetic impurity. We also discuss the effective magnetic interaction between impurities, relevant for impurity-induced magnetic order, and consequences for nuclear magnetic resonance and neutron-scattering experiments.
A central goal in the study of modern condensed matter physics is the characterization of the dynamical properties of quantum systems. Many decades of effort towards this goal, studying a diverse range of (near-equilibrium) quantum matter, from Fermi liquids, to quantum two-level systems, to interacting spin models, and more, has revealed a remarkable pervasiveness of the simple dynamical description of these complex systems in terms of quasi-particles that carry spin, charge, and heat, and that are generally able to equilibrate systems. \n\nThis thesis is an examination of some exceptions to this rule. Specifically, we study a number of instances of quantum matter where equilibration phenomena happens at rather long time scales, or does not occur at all. Particular emphasis is laid on the role of dimensionality, disorder, and dissipation in engendering such novel dynamical behavior.\n\nFirst, we consider non-equilibrium dynamics in one-dimensional quasi-condensates. Low dimensionality inhibits scattering in these systems, and low-energy excitations are long-lived phase fluctuations that exhibit an enriched conformal symmetry. Utilizing this symmetry, we generalize sudden quenches typically used to study non-equilibrium dynamics to quenches along general relativistic and conformal trajectories. Gases never truly equilibrate after such a quench; instead, they evolve into a `prethermal' state with thermal-looking correlations and a chiral asymmetry. \n\nWe then study the problem of the dynamical transition driven by disorder, from an ergodic to a non-ergodic phase, in one-dimensional quantum spin chains. In particular, in XXZ chains with on-site disorder, we find a unique intermediate phase straddling the boundary of the dynamical phase transition, wherein rare-region effects lead to long-time tails in equilibration and vanishing DC conduction before the onset of non-ergodicity. We propose generalizations of such `Griffiths' behavior to arbitrary dimensions. We also study the dynamics of random-bond Heisenberg chains by developing a strong-disorder renormalization group protocol for these systems. We discuss how magnetic noise from such disordered systems contains signatures of their anomalous dynamical properties. \n\nNext, we re-examine the phenomenological theory of two-level systems in amorphous materials in the light of new experimental evidence that these states have large electric/magnetic dipole moments. We propose and justify an interpretation of the model as one of tunneling electrons slowed down by a large phonon drag and discuss the dynamical consequences of such polaronic effects. \n\nFinally, we discuss how magnetic noise measurements can be used to non-invasively access the anomalous properties of systems such as those discussed above. In particular, we examine how scattering properties of isolated magnetic impurities and non-local transport in a variety of two-dimensional materials can be probed experimentally using NV centers as noise magnetometers.
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 study of strongly correlated materials remains one of the most challenging and active frontiers in condensed matter physics. In these systems, the intricate interplay between electrons' kinetic energy and their mutual Coulomb repulsion gives rise to a plethora of exotic phenomena, from high-temperature superconductivity to giant magnetoresistance, which cannot be explained by conventional one-electron theories. This necessitates the development and application of advanced theoretical and computational methods capable of capturing the essential physics of strong electronic correlations. A diverse array of numerical and analytical techniques has been developed to tackle the many-body problem. However, no single method serves as a panacea; each comes with its own set of strengths and weaknesses, and their domains of applicability vary significantly. The choice of an appropriate approximation is therefore highly dependent on the specific physical system and the scientific question at hand. Different problems may benefit from different, and sometimes complementary, methodological perspectives. This thesis focuses primarily on the application and development of local or quasi-local approaches. The rationale for this focus is rooted in the physical reality of many key correlated materials, such as transition metal oxides, heavy-fermion systems or molecular solids like alkali-doped fullerenes, where the local on-site electronic interaction is the dominant energy scale. By prioritizing the accurate treatment of local physics, these methods provide a robust and computationally efficient approximation for understanding a wide range of material properties. Recent experimental and theoretical advancements—spanning the rich physics of multiorbital compounds, the precise control over interactions in ultracold atomic gases, and the complex interplay in electron-phonon coupled systems—have created an urgent need for theoretical frameworks that can deliver reliable and rapid insights. The methods explored in this work are meant to address these challenges, offering a balance between accuracy and computational feasibility. Given the variety of topics addressed, from methodological developments to their application in diverse physical contexts, this thesis will try to be as detailed and self-contained as necessary, providing a clear exposition of the underlying concepts and technical aspects.