In this thesis some new ideas to perform the analysis of Strongly Correlated Electronic Systems (SCES) are developed. In particular the use of non-linear canonical transformations is considered thoroughly. Using such transformations it is possible, in some circumstances, to simplify the quantum problem redefining the fermionic degrees of freedom used to describe the system. To understand and use effectively these non-linear transformations it is convenient to work in the Majorana fermion representation, i.e., to represent the quantum mechanical operators in terms of Majorana fermions. These objects can be imagined as algebraic constituents of the fermionic degrees of freedom. In a fermionic system, different equivalent sets of (emergent) Majorana fermions can be used to build the fermionic operators that characterize the system. The non-linear transformations can be seen as a way to mix these equivalent sets. Thanks to this insight, it becomes possible to determine the full structure of the group of canonical transformations and to identify an advantageous framework, which allows their use in the study of a generic SCES system. To test these statements the Hubbard and the Kondo lattice models were intensively studied making use of non-linear canonical transformations, obtaining interesting results in both cases. For example, in the Hubbard model a free fermion mean-field description of the paramagnetic Mott insulator was identified, while in the Kondo lattice it was possible to describe already at mean-field level the spin-selective Kondo insulating phase, consistently (from a quantitative and qualitative point of view) with the known numerical results. Moreover the method elaborated for the study of the Hubbard model is suitable for a systematic generalization to other situations and shows great room for improvement. These results prove that, thanks to the redefinition of the degrees of freedom used in the analysis of the system, it becomes possible to obtain quite non-trivial results already at mean-field level, or to consider very involved (but meaningful) correlated quantum states via simple variational trial states. This will potentially permit a more judicious and profitable choice of the fundamental degrees of freedom, allowing for an improvement of the efficiency of the analytical and numerical techniques used in the analysis of many SCES systems.
In this thesis some new ideas to perform the analysis of Strongly Correlated Electronic Systems (SCES) are developed. In particular the use of non-linear canonical transformations is considered thoroughly. Using such transformations it is possible, in some circumstances, to simplify the quantum problem redefining the fermionic degrees of freedom used to describe the system. To understand and use effectively these non-linear transformations it is convenient to work in the Majorana fermion representation, i.e., to represent the quantum mechanical operators in terms of Majorana fermions. These objects can be imagined as algebraic constituents of the fermionic degrees of freedom. In a fermionic system, different equivalent sets of (emergent) Majorana fermions can be used to build the fermionic operators that characterize the system. The non-linear transformations can be seen as a way to mix these equivalent sets. Thanks to this insight, it becomes possible to determine the full structure of the group of canonical transformations and to identify an advantageous framework, which allows their use in the study of a generic SCES system. To test these statements the Hubbard and the Kondo lattice models were intensively studied making use of non-linear canonical transformations, obtaining interesting results in both cases. For example, in the Hubbard model a free fermion mean-field description of the paramagnetic Mott insulator was identified, while in the Kondo lattice it was possible to describe already at mean-field level the spin-selective Kondo insulating phase, consistently (from a quantitative and qualitative point of view) with the known numerical results. Moreover the method elaborated for the study of the Hubbard model is suitable for a systematic generalization to other situations and shows great room for improvement. These results prove that, thanks to the redefinition of the degrees of freedom used in the analysis of the system, it becomes possible to obtain quite non-trivial results already at mean-field level, or to consider very involved (but meaningful) correlated quantum states via simple variational trial states. This will potentially permit a more judicious and profitable choice of the fundamental degrees of freedom, allowing for an improvement of the efficiency of the analytical and numerical techniques used in the analysis of many SCES systems.
We analyze the structure of the group of (local) non-linear canonical transformations that exist in a system with n fermionic modes. To perform our study we develop an alternative framework to represent the generators of these canonical transformations; indeed we show how their definition, understanding and control is significantly improved using the Majorana fermion representation. These canonical transformations have the structure of a Lie group and we provide a representation for the elements of the Lie algebra that is very convenient both conceptually and practically (computationally): indeed our framework yields as side product an extremely effective tool to handle and work with SU(2n) Lie groups and algebras. Granting an enhanced control of the group of non-linear canonical transformation, our framework can be helpful in the study of strongly correlated electron systems, since it allows to easily identify fermionic degrees of freedom able to capture part of the correlations and thus may give a simpler representation of the Hamiltonian. Thanks to our analysis, also symmetry-based studies of the quantum Hamiltonians can be improved, since the simple representation of the generators of the canonical group permits to identify and understand otherwise hidden symmetries of difficult interpretation. The main aim of this work is to provide a comprehensive, general and scrupulous analysis of this framework, that we already applied in some circumstances. Therefore specific applications will not be presented in detail, since they can be found elsewhere, while only the formal and conceptual aspects will be developed thoroughly.
Materials with strongly correlated electrons show a multitude of unconventional phenomena, such as superconductivity or magnetism, that cannot be explained in a single-particle picture and necessitate to take many-body effects into account. A route to explain the origin of these phenomena consists in constructing effective models for these materials that are then solved, often using numerical techniques. Paradigmatic models for two different classes of strongly correlated electron systems are investigated in this thesis: The Hubbard model is a paradigmatic model to describe the Mott metal-insulator transition (MIT) and the Kondo lattice model describes the low-energy physics in heavy fermion compounds. Both models are analyzed numerically using different variations of a quantum cluster technique, the variational cluster approximation (VCA). The first part focuses on the MIT, as it is investigated experimentally in quasi-two-dimensional charge-transfer salts. Its nature and associated universality class are still heavily discussed and both experiments and theoretical approaches come to different conclusions. In this thesis, the Mott transition is investigated on an anisotropic two-dimensional Hubbard model at half-filling. By using a control parameter, which induces this anisotropy, strong evidence for Mott quantum criticality is found in weakly coupled Hubbard chains. The results at zero temperature show that the second-order critical end point Tc of the interaction-driven metal-insulator transition can be tuned down to zero at strong anisotropy. Further results for the antiferromagnetic phase suggest a similar picture and motivate adding the anisotropy as a new axis in the phase diagram to account for a low-temperature critical end point of the Mott transition. The second part of this thesis focuses on unconventional phases that emerge in a paradigmatic model for heavy fermion systems, the Kondo lattice model. Using the VCA, the two-dimensional Kondo lattice model is investigated in the paramagnetic phase as well as in phases with broken symmetry. An antiferromagnetic phase at weak coupling and a phase with Kondo-singlet formation at strong coupling are analyzed. Within the antiferromagnetically ordered region, two phases with different Fermi-surface topology, which are separated by a discontinuous transition, are identified. The model is also tested for s-wave superconductivity as found recently using dynamical mean-field theory, but no indications for robust local pairing are seen within VCA. Instead, nodal d-wave superconductivity is found and analyzed in a large range of couplings and electron fillings, and its interplay with antiferromagnetic order at weak coupling is discussed. This motivates further studies on extended models that might allow for a close comparison with experiments on heavy fermion systems. Understanding the formation of unconventional phases in strongly correlated electron systems is not only of fundamental interest, but it is also essential for designing new functional materials. Although the results of approximate cluster techniques have to be handled with care, the new aspects presented in this thesis pave the way for further investigations in this direction.
In this thesis, several cases of non-equilibrium phenomena and quantum phase transitions in strongly correlated electron systems are analyzed. The unconventional critical behavior near magnetic quantum phase transitions in various heavy-fermion metals has triggered proposals on the breakdown of the Kondo effect at the critical point. In part I, we investigate, within one specific scenario, the fate of such a zero-temperature transition upon coupling of the electronic to lattice degrees of freedom. We study a Kondo-Heisenberg model with volume-dependent Kondo coupling � this model displays both Kondo volume collapse and Kondo-breakdown transitions. Within a large-N treatment, we find that the Kondo breakdown transition remains of second order except for very soft lattices. Finally, we relate our findings to current heavy-fermion experiments. Using non-equilibrium Green�s functions, we derive transport equations for the degrees of freedom participating in the quantum critical region of the Kondo breakdown transition. We discuss conditions under which the transport of electrical charge is described by the independent motion of conduction electrons and auxiliary bosons. Under these conditions, we derive a semiclassical transport equation for the bosons and quantitatively discuss the electrical conductivity of the whole system. Motivated by pressure experiments on FeAs-122 superconductors, in part II we propose a scenario based on local-moment physics to explain salient features at the magnetic phase boundary of CaFe2As2. In this scenario, the low-pressure magnetic phase derives from Fe moments, which become screened in the paramagnetic high-pressure phase. The quantum phase transition can be described as an orbital-selective Mott transition, which is rendered first order by coupling to the lattice. These ideas are illustrated by a suitable mean-field analysis of an Anderson lattice model. An analytical description of non-equilibrium phenomena in interacting quantum systems is rarely possible. In part III we present one example where such a description can be achieved, namely the ferromagnetic Kondo model. In equilibrium, this model is tractable via perturbative renormalization-group techniques. We employ a recently developed extension of the flow-equation method to calculate the non-equilibrium decay of the local magnetization at zero temperature. The flow equations admit analytical solutions which become exact at short and long times, in the latter case revealing that the system always retains a memory of its initial state. Finally, in part IV we analyze the Nernst effect resulting from normal state quasiparticles in the cuprates in presence of various types of translational symmetry breaking. In the electron-doped cuprates, the Nernst signal resulting from a reconstruction of the Fermi surface due to spin density wave order is discussed. An order parameter consistent with the reconstruction of the Fermi surface detected in electron-doped materials is shown to sharply enhance the Nernst signal close to optimal doping. Within a semiclassical treatment, the obtained magnitude and position of the enhanced Nernst signal agrees with Nernst measurements in electron-doped cuprates. In the hole-doped cuprates, we discuss relations between the normal-state Nernst effect and stripe order. We find that Fermi pockets caused by translational symmetry breaking lead to a strongly enhanced Nernst signal with a sign depending on the modulation period of the ordered state and other details of the Fermi surface. This implies differences between antiferromagnetic and charge-only stripes. We compare our findings with recent data from La1.6−xNd0.4SrxCuO4 and YBa2Cu3Oy.
Presented in this thesis are a set of projects which lie at the intersection between strong correlations and topological phases of matter. The first of these projects is a treatment of an infinite dimensional generalization of the SSH model with local Coulomb interactions which is solved exactly using DMFT-NRG. Observed in the solution is power-law augmentation of the non-interacting density of states, as well as a Mott transition. This calculation represents an exact solution to an interacting topological insulator in the strongly correlated regime at zero temperature. The second set of projects involves the development of methods for formulating non-interacting auxiliary models for strongly correlated systems. These auxiliary models are able to capture the full dynamics of the original strongly correlated model, but with only completely non-interacting degrees of freedom, defined in an enlarged Hilbert space. We motivate the discussion by performing the mapping analytically for simple interacting systems using non-linear canonical transformations via a Majorana decomposition. For the nontrivial class of interacting quantum impurity models, the auxiliary mapping is established numerically exactly for finite-size systems using exact diagonalization, and for impurity models in the thermodynamic limit using NRG, both at zero and finite temperature. We find that the auxiliary systems take the form of generalized SSH models, which inherit the topological characteristics of those models. These generalized SSH models are also formalized and investigated in their own right as novel systems. Finally, we apply this methodology to study the Mott transition in the Hubbard model. In terms of the auxiliary system, we find that the Mott transition can be understood as a topological phase transition, which manifests as the formation and dissociation of topological domain walls.
In this thesis, strongly correlated quantum many-body systems in equilibrium and in out-of-equilibrium situations are investigated. This is done by applying and developing well established numerical methods. The focus of the thesis lies in the development and application of the density matrix renormalization group method (DMRG) to quantum many-body systems out of equilbrium. In this thesis, in addition to the DMRG, methods for the exact diagonalization of the Hamiltonian of the system, like the Lanczos- or the Jacobi-Davidson method, are treated. An extension of the Lanczos method makes it possible to treat the time evolution of strongly correlated quantum systems with an accuracy comparable to machine precision. This method is the basis for a possible extension of the DMRG for the treatment of systems out of equilibrium, the so-called adaptive time-dependent DMRG ("adaptive t-DMRG"). A second variant of the adaptive t-DMRG uses the Suzuki-Trotter decomposition of the time-evolution operator. An error analysis demonstrates that both methods, for a suitable choice of control parameters, have errors < 1% at the end of the time evolution in complicated quantities like, e.g., the momentum distribution function. We apply these numerical methods to investigate the quantum critical behavior of a variant of the Hubbard model and to treat two non-equilibrium situations of current interest. Extensive use of the DMRG makes it possible to clarify the quantum-critical behavior of the ionic Hubbard model; in particular, the numerical results demonstrate quite clearly that the correct scenario has two critical points; at the first critical point, only the charge degrees of freedom are critical, while at the second one only the spin degrees of freedom are critical. Quite surprisingly, the Mott-insulator phase in the strong-coupling regime shows a divergent electrical susceptibility. Next, the dynamics of a system of so-called soft-core bosons is treated. The particles initially are trapped in a deep box-potential and the dynamics is investigated after releasing them from this trapping potential. Similar to exact results obtained for so-called hard-core bosons, (quasi-)coherent matter waves emerge, demonstrating the possibility of realizing an atom laser in experiments on optical lattices. We find that the wave vector of the emerging matter wave can be tuned by changing the strength of the interaction between the particles. The second non-equilibrium situation is a so-called "quantum-quench" of a system of strongly correlated fermions, i.e., the evolution of the system after suddenly changing an intrinsic parameter like, e.g., the interaction strength between the particles, is investigated. In this case, we are mainly interested in the long-time behavior; in particular, the question arises whether, relying on Boltzmann's ergodic hypothesis, relaxation to a thermal state is obtained. We find that, in general, non-thermal final states are reached, which can be described by generalized Gibbs-Boltzmann ensembles.
We address the question of identifying degrees of freedom for quantum systems. Typically, quasi-particle descriptions of correlated matter are based upon the canonical algebras of bosons or fermions. Here we highlight that a special class of non-canonical algebras also offer useful quantum degrees of freedom, allowing for the development of quasi-particle descriptions which go beyond the weakly correlated paradigm. We give a broad overview of such algebras for spin, electron and local moment systems, and outline important test problems upon which to develop the framework.