Strongly correlated systems often display rich phase diagrams exhibiting different ordered phases involving spin, charge, pairing, or orbital degrees of freedom. The theoretical description of the competition between different instabilities in strongly correlated systems giving rise to this phenomenology, remains one of the holy grails of modern condensed matter theory. It poses a tremendous challenge of both conceptual and computational complexity, and thus the interplay of competing electronic fluctuations constitutes a roadblock to the understanding of the complex phase diagrams of a wide range of correlated quantum materials. This motivates the search for constructing simplified methods to study interplaying collective fluctuations.We introduce a multichannel extension of the recently developed fluctuating field approach to competing collective fluctuations in correlated electron systems. The method is based on a variational optimization of a trial action that explicitly contains the order parameters of the leading fluctuation channels. It gives direct access to the free energy of the system, facilitating the distinction between stable and metastable phases of the system.We apply our approach to the extended Hubbard model, a paradigmatic fermionic lattice model, occupying a prime place in condensed matter theory due to the potential relevance of its repulsive and attractive versions for both electronic materials and artificial systems.Utilising the technique to study the weak to intermediate coupling regime of the repulsive interaction, we find it to capture the interplay of competing charge density wave and antiferromagnetic fluctuations with qualitative agreement with more computationally expensive methods. In addition, the method allows access to excited-state properties, through the one-particle excitation spectrum, and many-body correlation effects, through the self-energy, directly on the real-frequency axis without using numerical analytic continuation techniques. The multichannel fluctuating field approach thus offers a promising route for a numerically low-cost treatment of the interplay between collective fluctuations in small to large systems.Using the introduced multichannel fluctuating field approach, we explore the phase diagram of the extended Hubbard model in both repulsive and attractive regimes, addressing the interplay of fluctuations in the antiferromagnetic, charge density wave, s-wave superconducting, and phase separation channels. Despite the fact that this model has been intensively studied for decades, our novel approach allows us to identify a novel phase that is characterised by the coexistence of collective s-wave superconducting and phase separation fluctuations. These findings resonate with previous observations of interplaying phase separation and superconducting phases in electronic systems, most importantly in high-temperature superconductors. In addition, the multichannel fluctuating field method allows to display the quintessential nature of the extended Hubbard model through the large variety of types of competitions which emerges from the interplaying instabilities. The general nature of the proposed theory, allowing to incorporate a variety of collective modes, makes it a promising tool for studying the interplay of collective fluctuations in strongly correlated fermionic systems.
Strongly correlated systems often display rich phase diagrams exhibiting different ordered phases involving spin, charge, pairing, or orbital degrees of freedom. The theoretical description of the competition between different instabilities in strongly correlated systems giving rise to this phenomenology, remains one of the holy grails of modern condensed matter theory. It poses a tremendous challenge of both conceptual and computational complexity, and thus the interplay of competing electronic fluctuations constitutes a roadblock to the understanding of the complex phase diagrams of a wide range of correlated quantum materials. This motivates the search for constructing simplified methods to study interplaying collective fluctuations.We introduce a multichannel extension of the recently developed fluctuating field approach to competing collective fluctuations in correlated electron systems. The method is based on a variational optimization of a trial action that explicitly contains the order parameters of the leading fluctuation channels. It gives direct access to the free energy of the system, facilitating the distinction between stable and metastable phases of the system.We apply our approach to the extended Hubbard model, a paradigmatic fermionic lattice model, occupying a prime place in condensed matter theory due to the potential relevance of its repulsive and attractive versions for both electronic materials and artificial systems.Utilising the technique to study the weak to intermediate coupling regime of the repulsive interaction, we find it to capture the interplay of competing charge density wave and antiferromagnetic fluctuations with qualitative agreement with more computationally expensive methods. In addition, the method allows access to excited-state properties, through the one-particle excitation spectrum, and many-body correlation effects, through the self-energy, directly on the real-frequency axis without using numerical analytic continuation techniques. The multichannel fluctuating field approach thus offers a promising route for a numerically low-cost treatment of the interplay between collective fluctuations in small to large systems.Using the introduced multichannel fluctuating field approach, we explore the phase diagram of the extended Hubbard model in both repulsive and attractive regimes, addressing the interplay of fluctuations in the antiferromagnetic, charge density wave, s-wave superconducting, and phase separation channels. Despite the fact that this model has been intensively studied for decades, our novel approach allows us to identify a novel phase that is characterised by the coexistence of collective s-wave superconducting and phase separation fluctuations. These findings resonate with previous observations of interplaying phase separation and superconducting phases in electronic systems, most importantly in high-temperature superconductors. In addition, the multichannel fluctuating field method allows to display the quintessential nature of the extended Hubbard model through the large variety of types of competitions which emerges from the interplaying instabilities. The general nature of the proposed theory, allowing to incorporate a variety of collective modes, makes it a promising tool for studying the interplay of collective fluctuations in strongly correlated fermionic systems.
Systems with strong electronic Coulomb correlations often display rich phase diagrams exhibiting different ordered phases involving spin, charge, or orbital degrees of freedom. The theoretical description of the interplay of the corresponding collective fluctuations giving rise to this phenomenology, however, remains a tremendous challenge. Here, we introduce a multichannel extension of the recently developed fluctuating field approach to competing collective fluctuations in correlated electron systems. The method is based on a variational optimization of a trial action that explicitly contains the order parameters of the leading fluctuation channels. It gives direct access to the free energy of the system, facilitating the distinction between stable and metastable phases of the system. We apply our approach to the extended Hubbard model in the weak to intermediate coupling regime where we find it to capture the interplay of competing charge density wave and antiferromagnetic fluctuations with qualitative agreement with more computationally expensive methods. The multichannel fluctuating field approach thus offers a promising route for a numerically low-cost treatment of the interplay between collective fluctuations in small to large systems.
Understanding competing instabilities in systems with correlated fermions remains one of the holy grails of modern condensed matter physics. Among the fermionic lattice models used to this effect, the extended Hubbard model occupies a prime place due to the potential relevance of its repulsive and attractive versions for both electronic materials and artificial systems. Using the recently introduced multichannel fluctuating field approach, we address the interplay of fluctuations in the charge density wave, s-wave superconducting, and phase separation channels in the attractive extended Hubbard model. Despite the fact that this model has been intensively studied for decades, our approach allows us to identify a phase that has not been analyzed before and which is characterized by the coexistence of collective s-wave superconducting and phase separation fluctuations. Our findings resonate with previous observations of interplaying phase separation and superconducting phases in electronic systems, most importantly in high-temperature superconductors.
The main focus of the present thesis lies on the development and application of numerical approaches based on quantum lattice models to describe collective excitations in strongly correlated materials. To this end, an efficient and balanced dual triply irreducible local expansion (D-TRILEX) approach that captures the major effects of spatial correlations in strongly correlated fermionic systems is presented, which is based on partial bosonization of the collective electronic fluctuations. Thereby, a specific choice of the bare interaction in the corresponding channel of instability allows a simultaneous description of collective excitations in different channels without facing the Fierz ambiguity problem which usually arises in methods based on partial bosonization. Compared to more elaborate methods, D-TRILEX does not require the computation of the numerically expensive four-point vertex. Furthermore, taking into account only the leading longitudinal contribution of the bosonic modes to the self-energy reduces the complexity of the diagrammatic structure drastically making the method applicable to more complex realistic multi-orbital systems. As the main result of this thesis, the D-TRILEX approach is introduced and its limit of applicability is studied by applying it to the two-dimensional single-band Hubbard model. Performing a comprehensive diagrammatic analysis by comparing D-TRILEX with methods, which consider different sets of diagrams and different approximations for the four-point vertex, we find that contributions that are not considered by the partially bosonized approximation of the four-point vertex have only a minor effect on electronic degrees of freedom and the longitudinal bosonic modes taking into account in D-TRILEX self-energy are the leading ones in a broad range of control parameters. After investigating the applicability of the D-TRILEX approach we apply the method to study collective electronic effects in the hole-doped InSe monolayers using a realistic electronic-structure model. Thereby, we find that due to the weakly screened long-range Coulomb interaction the system shows a charge density waves phase for the broad range of considered parameters, however, inside this regime we have found a coexisting ferromagnetic phase. D-TRILEX can be considered as an approximation of the more elaborate dual boson (DB) theory, which accounts for local correlations within the dynamical mean-field theory (DMFT) and nonlocal correlations perturbatively. As a further result of this thesis, we investigate the weak coupling regime of the two-dimensional single-band Hubbard model within the ladder DB approximation and compare our results to the numerically exact diagrammatic quantum Monte Carlo (DiagMC) method. We find that the DB method qualitatively captures all the different regimes. Even quantitatively DB shows a good agreement with the exact results for single- and two-particle quantities at high and moderate temperatures. However, the ladder approximation slightly underestimates the strong antiferromagnetic fluctuations that appear in the system at low temperatures. As the final result of this thesis, we perform a parametrization of the local four-point vertex in terms of the (three-point) Hedin vertex and screened interactions in the framework of single-boson exchange (SBE) decomposition. Similar to the D-TRILEX approach the computational costs are reduced by neglecting the interaction-irreducible part of the four-point vertex. The approximated vertex is used to calculate the DMFT susceptibility for different interaction strengths at different temperatures. We find that the approximation shows a good agreement in the limits of weak and strong couplings. Thereby, our study highlights the importance of the Hedin vertex for local vertex corrections.
High temperature superconductivity in copper oxides (cuprates) represents one of the most striking phenomena in condensed matter physics. These materials host superconducting states with the highest known critical temperatures, emerging upon doping antiferromagnetic insulator compounds. The antiferromagnetic (AF) insulating and superconducting (SC) phases defy standard descriptions in terms of band picture and conventional phonon-mediated superconductivity. In fact, these phenomena are genuine signatures of strong electronic correlations which hinder effective single-particle descriptions of the many-electron system. After 40 years since their discovery, it is widely accepted that the Hubbard model on the square lattice provides a minimal description of the low-energy electronic properties of cuprates. The model describes the competition between the electronic kinetic energy, modelled by nearest-neighbours hopping t, and the Coulomb repulsion, modelled by a purely local interaction potential U. At half-filling, this competition results in the so-called "Mott localisation" phenomenon, which distinguishes the metallic phase for U/t « 1 from an insulating phase for U/t » 1. The latter is characterised by the almost complete localisation of electrons due to the high energetic cost of hopping towards occupied sites. Interestingly, this basic competition is intimately related to AF ordering and, upon doping, to the formation of the SC state with characteristic d-wave symmetry. The fact that a purely repulsive interaction U is responsible for the formation of a SC state is remarkable, being superconductivity typically associated with an effective attractive interaction. In fact, a d-wave SC state can also be obtained, in general, by considering an attractive potential between electrons of neighbouring sites. Motivated by this observation, in this thesis, we study a modified version of the Hubbard model, dubbed as the "extended Hubbard model", in which we include a nearest-neighbours attractive potential -V. The general goal of this work is to explore the interplay between the purely local repulsion and the non-local attraction. This is not only motivated by the fact that both interactions are, in principle, responsible for d-wave superconductivity, but also by recent experimental observations which strongly suggest that the term -V needs to be included in order to accurately describe the magnetic spectra of some specific compounds. In this thesis, we study the extended Hubbard model using the Hartree-Fock method. Namely, we approximate the ground state by implementing a variational search in the subspace of the many-body Hilbert space of gaussian states. Despite its simplicity, the Hartree-Fock method provides a powerful framework to study competition among different phases, originating from different symmetry breaking mechanisms. In particular, we study the competition between three different phases: the normal phase, characterised by no symmetry breaking, the AF phase, characterised by a lowering of SU(2) symmetry, and the SC phase, characterised by the breaking of U(1) charge conservation. This thesis work led to a number of original results, which can be summarised by the general observation that the non-local attraction -V acts cooperatively with the local repulsion U for the stabilisation of the various phases hosted by the Hubbard model. For the normal phase, we find that the non-local attraction acts as a source of Mott localisation, leading to an effective reduction of the electronic bandwidth. In particular, for values of V larger than a critical value and close to half-filling, we find a strong Mott localisation characterised by the complete flattening of the electronic bands. Interestingly, this result shows an example of Mott localisation that can be described at the level of the Hartree-Fock approximation, whereas Mott localisation in the conventional Hubbard model usually requires more sophisticated approximation schemes. For the AF phase, we restrict our analysis to the half-filled case. We find that the pairing-induced Mott localisation leads to a significant enhancement of the magnetisation, primarily originating from the local repulsion U. Finally, we focus on the superconducting phase and derive self-consistency equations in both singlet and triplet Cooper pairing channels, showing how Cooper pairing can be mediated simultaneously by both the local repulsion and the non-local attraction. Therefore, we numerically investigate the singlet channel and find evidence of "symmetry mixing", namely, the formation of a superconducting gap that is neither symmetric nor anti-symmetric under rotations of π/2 in the plane. We show that symmetry mixing is connected to the emergence of a finite nematic order parameter, that signals the breaking of planar rotational symmetry. This nematic symmetry breaking results in the fact that the renormalisation of bands becomes anisotropic, producing a difference in electronic kinetics in the x and y directions. To summarise, the original results obtained in this thesis show that the non-local pairing provides a different route towards the formation of key strongly correlated phenomena, including Mott localisation and nematic superconductivity, and call for future investigation using more sophisticated methods such as, for example, the Dynamical Mean Field Theory.
Systems with competing orders are of great interest in condensed matter physics. When\ntwo phases have comparable energies, novel interplay effects such can be induced by tuning an appropriate parameter. In this thesis, we study two problems of competing orders - (i) ultracold atom gases with competing superfluidity and Charge Density Wave(CDW) orders, and (ii) low dimensional antiferromagnets with Neel order competing against various disordered ground states. \n\nIn the first part of the thesis, we study the\n attractive Hubbard model which could soon be realized in ultracold atom experiments. Close to half-filling, the superfluid ground state competes with a low-lying CDW phase. We study the collective excitations of the superfluid using the Generalized Random Phase Approximation (GRPA) and strong-coupling spin wave analysis.\n The competing CDW phase manifests as a roton-like excitation. We characterize the collective mode spectrum, setting benchmarks for experiments.\n\nWe drive competition between orders by imposing superfluid flow. Superflow leads to various instabilities: in particular, we find a dynamical instability associated with CDW order. We also find a novel dynamical incommensurate instability analogous to exciton condensation in semiconductors.\n\nIn the second part, inspired by experiments on Bi3Mn4O12(NO3)(BMNO), we first study the interlayer dimer state in spin-S bilayer antiferromagnets. At a critical bilayer coupling strength, condensation of triplet excitations leads to Neel order. In describing this transition, bond operator mean field theory suffers from systematic deviations. We bridge these deviations by taking into account corrections arising from higher spin excitations. The interlayer dimer state shows a field induced Neel transition, as seen in BMNO. Our results are relevant to the quantitative modelling of spin-S dimerized systems. \n\nWe then study the J1−J2 model on the honeycomb lattice with frustrating next-nearest neighbour exchange.\n For J2>J1/6, quantum and thermal fluctuations lead to ‘lattice nematic’\nstates. For S=1/2, this lattice nematic takes the form of a valence bond solid.\n\nWith J2<J1 /6, quantum fluctuations melt Neel order so as to give rise to a field induced Neel transition. This scenario can explain the observed properties of BMNO.\n\nWe discuss implications for the honeycomb lattice Hubbard model.
In the present thesis, we consider interaction induced instabilities in different electronic models consisting of multiple orbitals. We employ the functional renormalization group method, to tackle the many-particle problem. The main goal of this work is the identification of leading instabilities of different interacting electron systems and the relevant energy scales for the onset of correlations. First, we recapitulate the functional renormalization group formalism and discuss details of its application. We proceed with the investigation of two models, a continuum model and a model on a checkerboard lattice, which exhibit a single quadratic band crossing point at the Fermi level. Here, we find that electron-electron interactions can lead to ordering with non-trivial topological properties, i.e. the existence of topologically protected edge states. We further discuss the emergence of superconductivity, when the band crossing point is shifted away from the Fermi surface. Then, we turn to more realistic models featuring quadratic and cubic band crossing points, namely the honeycomb bi- and trilayer, which are used to describe the graphene layered systems. We obtain rich phase diagrams, with antiferromagnetic spin-density, two types of charge-density waves and a quantum spin Hall phase, which features in the case of the trilayer topologically protected edge states. With interaction parameters extracted from ab initio calculations, we observe a close competition between the antiferromagnetic and quantum spin Hall state. Here, the precise shape of the interaction decides which instability is the leading one. A comparison of the energy scales of the ordering phenomena in tri-, bi- and single layer reveals that when the interaction parameters from ab initio are appropriately rescaled, the functional renormalization group can qualitatively reproduce experimental gap sizes in the respective materials consistently. Afterwards, we study a multiband model of the copper-based unconventional superconductors. This is motivated by a puzzling material trend in copper-based high-Tc superconductors, pointed out by Pavarini et al. [PRL. 87, 047003 (2001)]: Compounds with larger next-nearest-neighbor hopping generally exhibit larger critical temperatures, which cannot be easily understood within spin-fluctuation theories of the one-band Hubbard model. Therefore, we consider the extension of the original model by including additional orbitals. We investigate a two-band model with an additional 4s orbital within a two-patch approximation and the N-patch-scheme. By this, a general understanding of the influence of the additional orbitals is established. Afterwards, we additionally include the 3dz2 orbital and show that the material trend, found in experiments, can, at least, qualitatively be reproduced. Lastly, we go back to the single band Hubbard model and examine the consequences of the widely used approximation of neglecting the self-energy and the frequency dependence of the interaction vertex. We establish that the phase diagram obtained from the functional renormalization group is only quantitatively affected. From this study, we conclude that neglecting self-energy and frequency dependence, is a sensible approach, in order to obtain a reliable qualitative picture of the low energy behavior of a weakly or moderately coupled system at reasonable expense.