La physique de la matière condensée, et notamment les systèmes fortement corrélés, amènent à des problèmes parmi les plus stimulants et difficiles de la physique moderne. Dans ces systèmes, les interactions à plusieurs corps et les corrélations entre les particules quantiques ne peuvent être négligées, sinon, les modèles échoueraient simplement à capturer les mécanismes physiques en jeu et les phénomènes qui en découlent. En particulier, le travail présenté dans ce manuscrit traite du magnétisme quantique et aborde plusieurs questions distinctes à l'aide d'approches computationnelles et méthodes numériques à l'état de l'art. Les effets conjoints du désordre (i.e. impuretés) et des interactions sont étudiés concernant un matériau magnétique spécifique : plutôt qu'une phase de la matière dite localisée, attendue à fort champ magnétique, une phase ordonnée induite par le désordre lui-même est mise en lumière, avec une réapparition inattendue de la cohérence quantique dans ledit composé. Par ailleurs, la réponse dynamique d'aimants quantiques à une perturbation externe, comme celle mesurée dans des expériences de résonance magnétique nucléaire ou de diffusion inélastique de neutrons est étudiée. / 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.

The physics of iron pnictides has been the subject of intense research for half a decade since the discovery of superconductivity in doped LaFeAsO in 2008. By now there exists a large number of different materials that are summarized under the term "pnictides'' with significant differences in their crystal structure, electronic properties, and their phase diagrams. This thesis is concerned with the investigation of the various phase transitions that are observed in the underdoped compounds of the pnictide subgroups RFeAsO, where R is a rare-earth element, and AFe_2As_2, where A is an alkaline-earth element. These compounds display two closely bound transitions from a tetragonal to an orthorhombic phase and from a paramagnetic to an antiferromagnetic metal. Both symmetry-broken phases are suppressed by doping or pressure and close to their disappearance superconductivity sets in. The superconducting state is stabilized until some optimal doping or pressure is reached and gets suppressed thereafter. The central goal of this thesis is to improve our understanding of the interplay between these three phases and to describe the various phase transitions. We start from an itinerant picture that explains the magnetism as a result of an excitonic instability and show how the other phases can be included into this picture. This approach is based on the the observation that the compounds we are interested in have a Fermi surface with multiple nested electron and hole pockets and that they have small to intermediate interaction strengths. The thesis starts with a study of the doping dependence of the antiferromagnetic phase transition in four different five-orbital models. We use the random-phase approximation to determine the transition temperature, the dominant ordering vector, and the contribution of the different orbitals to the ordering. This allows us to identify the more realistic models, which give results that are in good agreement with experimental observations. In addition to the frequently made assumption of orbital-independent interaction potentials we study the effect of a reduction of the interaction strengths that involve the d_{xy} orbital. We find that this tunes the system between two different nesting instabilities. A reduction of the interactions that involve the d_{xy} orbital also enhances the tendency towards incommensurate (IC) order. For a weak reduction this tendency is compensated by the presence of the orthorhombic phase. However, for a reduction of 30%, as it is suggested by constrained random-phase-approximation calculations, we always find large doping ranges, where a state with IC order has the highest transition temperature. We continue the investigation of the magnetic phase transition by studying the competition of different possible types of antiferromagnetic order that arises from the presence of two degenerate nesting instabilities with the ordering vectors (pi,0) and (0,pi). We derive a Ginzburg-Landau free energy from a microscopic two-band model and find that the presence of the experimentally observed stripe phase strongly depends on the number and size of the hole pockets in the system and on the doping. We show that within the picture of a purely magnetically driven nematic phase transition, which breaks the C_4 symmetry and induces the orthorhombic distortion, the nematic phase displays exactly the same dependence on the model parameters as the magnetic stripe phase. We propose that in addition to the purely magnetically driven nematic instability there is a ferro-orbital instability in the system that stabilizes the nematic transition and, thus, explains the experimentally observed robustness of the orthorhombic transition. We argue that including a ferro-orbital instability into the picture may also be necessary to reproduce the transition from simultaneous first-order transitions into an orthorhombic antiferromagnetic state to two separate second-order transitions, which is observed as a function of doping. Finally, a study of the superconducting phase transition inside the antiferromagnetic phase that is observed in some pnictide compounds is presented. We present an approach to calculate the fluctuation-mediated pairing interaction in the spin-density-wave phase of a multiband system, which is based on the random-phase approximation. This approach is applied to a minimal two-band model for the pnictides to study the effect of the various symmetry-allowed bare on-site interactions on the gap symmetry and structure. We find a competition between various even- and odd-parity states and over a limited parameter range a p_x-wave state is the dominant instability. The largest part of the parameter space is dominated by even parity states but the gap structure sensitively depends on the bare interactions. We propose that the experimentally observed transition from a nodeless to a nodal gap can be due to changes in the on-site interaction potentials.

Topological states of matter are a novel family of phases that elude the conventional Landau paradigm of phase transitions. Topological phases are characterized by global topological invariants which are typically reflected in the quantization of physical observables. Moreover, their characteristic bulk-boundary correspondence often gives rise to robust surface modes with exceptional features, such as dissipationless charge transport or non-Abelian statistics. In this way, the study of topological states of matter not only broadens our knowledge of matter but could potentially lead to a whole new range of technologies and applications. In this light, it is of great interest to find novel topological phases and to study their unique properties. In this work, novel manifestations of topological states of matter are studied as they arise when materials are subject to additional symmetries. It is demonstrated how symmetries can profoundly enrich the topology of a system. More specifically, it is shown how symmetries lead to additional nontrivial states in systems which are already topological, drive trivial systems into a topological phase, lead to the quantization of formerly non-quantized observables, and give rise to novel manifestations of topological surface states. In doing so, this work concentrates on weakly interacting systems that can theoretically be described in a single-particle picture. In particular, insulating and semi-metallic topological phases in one, two, and three dimensions are investigated theoretically using single-particle techniques.

No description available.

Le domaine des problèmes quantiques à N-corps à l'équilibre et hors d'équilibre sont des sujets majeurs de la Physique et de la Physique de la matière condensée en particulier. Les propriétés d'équilibre de nombreux systèmes unidimensionnels en interaction sont bien comprises d'un point de vue théorique, des chaînes de spins aux théories quantiques des champs dans le continue. Ces progrès ont été rendus possibles par le développement de nombreuses techniques puissantes, comme, par exemple, l'ansatz de Bethe, le groupe de renormalisation, la bosonisation, les états produits de matrices ou la théorie des champs invariante conforme. Même si les propriétés à l'équilibre de nombreux modèles soient connues, ceci n'est en général pas suffisant pour décrire leurs comportements hors d'équilibre, et ces derniers restent moins explorés et beaucoup moins bien compris. Les modèles d'impuretés quantiques représentent certains des modèles à N-corps les plus simples. Mais malgré leur apparente simplicité ils peuvent capturer plusieurs phénomènes expérimentaux importants, de l'effet Kondo dans les métaux aux propriétés de transports dans les nanostructures, comme les points quantiques. Dans ce travail nous considérons un modèle d'impureté appelé "modèle de niveau résonnant en interaction" (IRLM). Ce modèle décrit des fermions sans spin se propageant dans deux fils semi-infinis qui sont couplés à un niveau résonant -- appelé point ou impureté quantique -- via un terme de saut et une répulsion Coulombienne. Nous nous intéressons aux situations hors d'équilibre où un courant de particules s'écoule à travers le point quantique, et étudions les propriétés de transport telles que le courant stationnaire (en fonction du voltage), la conductance différentielle, le courant réfléchi, le bruit du courant ou encore l'entropie d'intrication. Nous réalisons des simulations numériques de la dynamique du modèle avec la méthode du groupe de renormalisation de la matrice densité dépendent du temps (tDMRG), qui est basée sur une description des fonctions d'onde en terme d'états produits de matrices. Nous obtenons des résultats de grande précision concernant les courbes courant-voltage ou bruit-voltage de l'IRLM, dans un grand domaine de paramètres du modèle (voltage, force de l'interaction, amplitude de saut vers le dot, etc.). Ces résultats numériques sont analysés à la lumière de résultats exacts de théorie des champs hors d'équilibre qui ont été obtenus pour un modèle similaire à l'IRLM, le modèle de Sine-Gordon avec bord (BSG). Cette analyse est en particulier basée sur l'identification d'une échelle d'énergie Kondo et d'exposants décrivant les régimes de petit et grand voltage. Aux deux points particuliers où les modèles sont connus comme étant équivalents, nos résultats sont en accord parfait avec la solution exacte. En dehors de ces deux points particuliers nous trouvons que les courbes de transport de l'IRLM et du modèle BSG demeurent très proches, ce qui était inattendu et qui reste dans une certaine mesure inexpliqué. / The fields of in- and out-of-equilibrium quantum many-body systems are major topics in Physics, and in condensed-matter Physics in particular. The equilibrium properties of one-dimensional problems are well studied and understood theoretically for a vast amount of interacting models, from lattice spin chains to quantum fields in a continuum. This progress was allowed by the development of diverse powerful techniques, for instance, Bethe ansatz, renormalization group, bosonization, matrix product states and conformal field theory. Although the equilibrium characteristics of many models are known, this is in general not enough to describe their non-equilibrium behaviors, the latter often remain less explored and much less understood. Quantum impurity models represent some of the simplest many-body problems. But despite their apparent simplicity, they can capture several important experimental phenomena, from the Kondo effect in metals to transport in nanostructures such as point contacts or quantum dots. In this thesis consider a classic impurity model - the interacting resonant level model (IRLM). The model describes spinless fermions in two semi-infinite leads that are coupled to a resonant level -- called quantum dot or impurity -- via weak tunneling and Coulomb repulsion. We are interested in out-of-equilibrium situations where some particle current flows through the dot, and study transport characteristics like the steady current (versus voltage), differential conductance, backscattered current, current noise or the entanglement entropy. We perform extensive state-of-the-art computer simulations of model dynamics with the time-dependent density renormalization group method (tDMRG) which is based on a matrix product state description of the wave functions. We obtain highly accurate results concerning the current-voltage and noise-voltage curves of the IRLM in a wide range parameter of the model (voltage bias, interaction strength, tunneling amplitude to the dot, etc.).These numerical results are analyzed in the light of some exact out-of-equilibrium field-theory results that have been obtained for a model similar to the IRLM, the boundary sine-Gordon model (BSG).This analysis is in particular based on identifying an emerging Kondo energy scale and relevant exponents describing the high- and low- voltage regimes. At the two specific points where the models are known to be equivalent our results agree perfectly with the exact solution. Away from these two points, we find that, within the precision of our simulations, the transport curves of the IRLM and BSG remain very similar, which was not expected and which remains somewhat unexplained.

<p>In recent years, correlated magnetic phenomena have emerged as a unique resource for enabling alternative computing, memory, and sensing applications. This has led to the exploration of novel magnetic hybrid platforms with the promise of improved figures of merit over the state-of-the-art. In this dissertation, we delve into several example platforms where magnets interact with various other degrees of freedom, resulting in enhanced figures of merit and/or the emergence of novel functionalities.</p><p>First, we investigate the possibility of utilizing the collective resonant mode of nanomagnets to enhance the electric field sensitivity of quantum spin defects. While quantum systems have garnered significant attention in recent years for their extraordinary potential in information processing, their potential in the field of quantum sensing remains yet to be fully explored. Quantum systems, with their inherent fragility to external signals, can be harnessed as powerful tools to develop highly efficient sensors. In this dissertation, we explore the potential of a specific type of quantum sensor, namely the quantum spin defects as an electric field sensor, when integrated with a nanomagnet/piezoelectric composite multiferroic. This integration yields at least an order of magnitude enhancement in sensitivity, presenting a promising avenue for quantum sensing applications.</p><p>Next, we shift our focus towards harnessing magnetic correlation in the emerging class of atomically thin magnets known as van der Waals magnets. These magnets provide distinctive opportunities for controlling and exploiting magnetic correlations. Specifically, these platforms allow for tunable magnetic interactions by twisting two vertically adjacent layers of the magnet, features that are unique to van der Waals materials. By capitalizing on such twist degrees of freedom, we demonstrate the creation of twist-tunable nanoscale magnetic ground states. This capability opens up avenues for applications such as high-density memories and magnon crystals.</p><p>Interestingly, the same material platform also allows for exploiting magnetic correlation by controlling the local electrical environment. We uncover the symmetry-allowed spin-charge coupling mechanisms in the heterostructures of such magnets, a prediction that has received experimental support. Utilizing such an understanding, we propose a setup for the electrical generation of magnons. Magnons—the elementary excitation of spin waves—have garnered a lot of attention these days due to their potential to couple various diverse physical systems and in the field of low dissipation computing. Our findings offer a potential pathway towards the realization of magnon-based spintronic devices.</p>

The experimentally obtained value of the critical exponent ν is presently in significant disagreement with current theoretical predictions for the λ-universality class. We suggest two novel approaches of determining the exponents ν and η by utilizing the effects of finite size scaling. The numerical computations are performed using Monte Carlo simulations of a 3D XY model, realized on a bc-lattice. Different sizes of systems are then either compared in pairs (pairwise fit) or all together (joint fit), in order to fit the correct value of the critical exponents to our sampled data. We find for the pairwise fitting procedure that ν = 0.6731(36) and η = 0.0351(39). Likewise, the joint fitting procedure yields ν = 0.6727(58) and η = 0.0349(49). The predictions for ν are very consistent with existing works, while the values for η are somewhat lower than expected from existing literature results. / Det experimentella värdet av den kritiska exponenten, ν, skiljer sig för närvarande från de teoretiska uppskattningarna som gjorts för λ-universalitetsklassen. Vi föreslår två nya metoder för att bestämma exponenterna ν och η, genom att använda effekterna från ändlig storleksskalning. De numeriska beräkningarna utförs med hjälp av Monte Carlo simulering av en tredimensionell XY-modell, realiserad på ett kubiskt gitter. Olika sys- temstorlekar jämförs sedan antingen parvis eller gemensamt, för att kunna anpassa värdet på de kritiska exponenterna till data. Vi erhåller ν = 0.6731(36) och η = 0.0351(39), för parvis anpassning, samt ν = 0.6727(58) and η = 0.0349(49) för gemensam anpassning. Det beräknade värdet på ν stämmer bra överens med andra arbeten, medan värdena på η är något lägre än förväntat från tidigare uppskattningar.

We study non-equilibrium and strongly-correlated dynamics in two contexts. We begin by analysing quantum many-body systems out of equilibrium through the lens of cold atomic impurities in Bose gases. Such highly-imbalanced mixtures provide a controlled arena for the study of interactions, dissipation, decoherence and transport in a many-body quantum environment. Specifically we investigate the oscillatory dynamics of a trapped and initially highly-localised impurity interacting with a weakly-interacting trapped quasi low-dimensional Bose gas. This relates to and goes beyond a recent experiment by the Inguscio group in Florence. We witness a delicate interplay between the self-trapping of the impurity and the inhomogeneity of the Bose gas, and describe the dissipation of the energy of the impurity through phononic excitations of the Bose gas. We then study the transport of a driven, periodically-trapped impurity through a quasi one-dimensional Bose gas. We show that placing the weakly-interacting Bose gas in a separate periodic potential leads to a phononic excitation spectrum that closely mimics those in solid state systems. As a result we show that the impurity-Bose gas system exhibits phonon-induced resonances in the impurity current that were predicted to occur in solids decades ago but never clearly observed. Following this, allowing the bosons to interact strongly, we predict the effect of different strongly-correlated phases of the Bose gas on the motion of the impurity. We show that, by observing the impurity, properties of the excitation spectrum of the Bose gas, e.g., gap and bandwidth, may be inferred along with the filling of the bosonic lattice. In other words the impurity acts as a probe of its environment. To describe the dynamics of such a strongly-correlated system we use the powerful and near-exact time-evolving block decimation (TEBD) method, which we describe in detail. The second part of this thesis then analyses, for the first time, the performance of this method when applied to simulate non-equilibrium classical stochastic processes. We study its efficacy for a well-understood model of transport, the totally-asymmetric exclusion process, and find it to be accurate. Next, motivated by the inefficiency of sampling-based numerical methods for high variance observables we adapt and apply TEBD to simulate a path-dependent observable whose variance increases exponentially with system size. Specifically we calculate the expected value of the exponential of the work done by a varying magnetic field on a one-dimensional Ising model undergoing Glauber dynamics. We confirm using Jarzynski's equality that the TEBD method remains accurate and efficient. Therefore TEBD and related methods complement and challenge the usual Monte Carlo-based simulators of non-equilibrium stochastic processes.

This thesis considers quantum impurity models that exhibit a quantum phase transition (QPT) between a Fermi liquid strong coupling (SC) phase, and a doubly-degenerate non-Fermi liquid local moment (LM) phase. We focus on what can be said from exact analytic arguments about the LM phase of these models, where the system is characterized by an SU(2) spin degree of freedom in the entire system. Conventional perturbation theory about the non-interacting limit does not hold in the non-Fermi liquid LM phase. We circumvent this problem by reformulating the perturbation theory using a so-called `two self-energy' (TSE) description, where the two self-energies may be expressed as functional derivatives of the Luttinger-Ward functional. One particular paradigmatic model that possesses a QPT between SC and LM phases is the pseudogap Anderson impurity model (PAIM). We use infinite-order perturbation theory in the interaction, U, to self-consistently deduce the exact low-energy forms of both the self-energies and propagators in each of the distinct phases of the model. We analyse the behaviour of the model approaching the QPT from each phase, focusing on the scaling of the zero-field single-particle dynamics using both analytical arguments and detailed numerical renormalization group (NRG) calculations. We also apply two `conserving' approximations to the PAIM. First, second-order self-consistent perturbation theory and second, the fluctuation exchange approximation (FLEX). Within the FLEX approximation we develop a numerical algorithm capable of self-consistently and coherently describing the QPT coming from both distinct phases. Finally, we consider a range of static spin susceptibilities that each probe the underlying QPT in response to coupling to a magnetic field.

The physics of iron pnictides has been the subject of intense research for half a decade since the discovery of superconductivity in doped LaFeAsO in 2008. By now there exists a large number of different materials that are summarized under the term "pnictides'' with significant differences in their crystal structure, electronic properties, and their phase diagrams. This thesis is concerned with the investigation of the various phase transitions that are observed in the underdoped compounds of the pnictide subgroups RFeAsO, where R is a rare-earth element, and AFe_2As_2, where A is an alkaline-earth element. These compounds display two closely bound transitions from a tetragonal to an orthorhombic phase and from a paramagnetic to an antiferromagnetic metal. Both symmetry-broken phases are suppressed by doping or pressure and close to their disappearance superconductivity sets in. The superconducting state is stabilized until some optimal doping or pressure is reached and gets suppressed thereafter. The central goal of this thesis is to improve our understanding of the interplay between these three phases and to describe the various phase transitions. We start from an itinerant picture that explains the magnetism as a result of an excitonic instability and show how the other phases can be included into this picture. This approach is based on the the observation that the compounds we are interested in have a Fermi surface with multiple nested electron and hole pockets and that they have small to intermediate interaction strengths. The thesis starts with a study of the doping dependence of the antiferromagnetic phase transition in four different five-orbital models. We use the random-phase approximation to determine the transition temperature, the dominant ordering vector, and the contribution of the different orbitals to the ordering. This allows us to identify the more realistic models, which give results that are in good agreement with experimental observations. In addition to the frequently made assumption of orbital-independent interaction potentials we study the effect of a reduction of the interaction strengths that involve the d_{xy} orbital. We find that this tunes the system between two different nesting instabilities. A reduction of the interactions that involve the d_{xy} orbital also enhances the tendency towards incommensurate (IC) order. For a weak reduction this tendency is compensated by the presence of the orthorhombic phase. However, for a reduction of 30%, as it is suggested by constrained random-phase-approximation calculations, we always find large doping ranges, where a state with IC order has the highest transition temperature. We continue the investigation of the magnetic phase transition by studying the competition of different possible types of antiferromagnetic order that arises from the presence of two degenerate nesting instabilities with the ordering vectors (pi,0) and (0,pi). We derive a Ginzburg-Landau free energy from a microscopic two-band model and find that the presence of the experimentally observed stripe phase strongly depends on the number and size of the hole pockets in the system and on the doping. We show that within the picture of a purely magnetically driven nematic phase transition, which breaks the C_4 symmetry and induces the orthorhombic distortion, the nematic phase displays exactly the same dependence on the model parameters as the magnetic stripe phase. We propose that in addition to the purely magnetically driven nematic instability there is a ferro-orbital instability in the system that stabilizes the nematic transition and, thus, explains the experimentally observed robustness of the orthorhombic transition. We argue that including a ferro-orbital instability into the picture may also be necessary to reproduce the transition from simultaneous first-order transitions into an orthorhombic antiferromagnetic state to two separate second-order transitions, which is observed as a function of doping. Finally, a study of the superconducting phase transition inside the antiferromagnetic phase that is observed in some pnictide compounds is presented. We present an approach to calculate the fluctuation-mediated pairing interaction in the spin-density-wave phase of a multiband system, which is based on the random-phase approximation. This approach is applied to a minimal two-band model for the pnictides to study the effect of the various symmetry-allowed bare on-site interactions on the gap symmetry and structure. We find a competition between various even- and odd-parity states and over a limited parameter range a p_x-wave state is the dominant instability. The largest part of the parameter space is dominated by even parity states but the gap structure sensitively depends on the bare interactions. We propose that the experimentally observed transition from a nodeless to a nodal gap can be due to changes in the on-site interaction potentials.