• Refine Query
  • Source
  • Publication year
  • to
  • Language
  • 155
  • 33
  • 26
  • 11
  • 5
  • 1
  • 1
  • 1
  • 1
  • Tagged with
  • 255
  • 255
  • 107
  • 58
  • 57
  • 56
  • 44
  • 29
  • 28
  • 28
  • 27
  • 24
  • 22
  • 21
  • 21
  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
231

Modèles cinétiques de particules en interaction avec leur environnement / Kinetics models of particles interacting with their environment

Vavasseur, Arthur 24 October 2016 (has links)
Dans cette thèse, nous étudions la généralisation à une infinité de particules d'un modèle hamiltonien décrivant les interactions entre une particule et son environnement. Le milieu est considéré comme une superposition continue de membranes vibrantes. Au bout d'un certain temps, tout se passe comme si la particule était soumise à une force de frottement linéaire. Les équations obtenus pour un grand nombre de particules sont proches des équations de Vlasov. Dans un premier chapitre, on montre d'abord l'existence et l'unicité des solutions puis on s'intéresse à certains régimes asymptotiques; en faisant tendre la vitesse des ondes dans le milieu vers l'infini et en redimensionnant les échelles, on obtient à la limite une équation de Vlasov, on montre que si l'on modifie en plus une fonction paramètrisant le système, on obtient l'équation de Vlasov-Poisson attractive. Dans un deuxième chapitre, on ajoute un terme de diffusion à l'équation. Cela correspond à prendre en compte une agitation brownienne et un frottement linéaire sur les particules. Le principal résultat de ce chapitre est la convergence de la distribution de particules vers une unique distribution stationnaire. On montre la limite de diffusion pour ce nouveau système en faisant tendre simultanément la vitesse de propagation vers l'infini. On obtient une équation plus simple pour la densité spatiale. Dans le chapitre 3, nous montrons la validité des équations déjà étudiées par une limite de champ moyen. Dans le dernier chapitre, on étudie l'asymptotique en temps long de l'équation décrivant l'évolution de la densité spatiale obtenue dans le chapitre 2, des résultats faibles de convergence sont obtenus / The goal of this PhD is to study a generalisation of a model describing the interaction between a single particle and its environment. We consider an infinite number of particles represented by their distribution function. The environment is modelled by a vibrating scalar field which exchanges energy with the particles. In the single particle case, after a large time, the particle behaves as if it were subjected to a linear friction force driven by the environment. The equations that we obtain for a large number of particles are close to the Vlasov equation. In the first chapter, we prove that our new system has a unique solution. We then care about some asymptotic issues; if the wave velocity in the medium goes to infinity, adapting the scaling of the interaction, we connect our system with the Vlasov equation. Changing also continuously a function that parametrizes the model, we also connect our model with the attractive Vlasov-Poisson equation. In the second chapter, we add a diffusive term in our equation. It means that we consider that the particles are subjected to a friction force and a Brownian motion. Our main result states that the distribution function converges to the unique equilibrium distribution of the system. We also establish the diffusive limit making the wave velocity go to infinity at the same time. We find a simpler equation satisfied by the spatial density. In chapter 3, we prove the validity of both equations studied in the two first chapters by a mean field limit. The last chapter is devoted to studying the large time asymptotic properties of the equation that we obtained on the spatial density in chapter 2. We prove some weak convergence results
232

A microscopic treatment of correlated nucleons : collective properties in stable and exotic nuclei / Description microscopique de nucléons corrélés : propriétés collectives dans les noyaux stables et exotiques

Vasseur, Olivier 18 September 2019 (has links)
Ce travail de doctorat s'inscrit dans le cadre des techniques adaptées à la résolution du problème à N corps nucléaire. Il a été motivé par la perspective d'utiliser des méthodes allant au-delà de l'approximation de champ moyen pour améliorer la description des spectres d'excitation des noyaux stables et exotiques, notamment les états de basse énergie et les résonances géantes. À cette fin, l'approche choisie est le développement de modèles basés sur la second random-phase approximation (SRPA) utilisée avec une procédure de soustraction. Ces développements ont pour but d'étendre le champ d'applicabilité du modèle initial et d'inclure des corrélations dans l'état fondamental.Une première partie consiste en l'application de la SRPA avec une méthode de soustraction à l'étude de la réponse dipolaire (comprenant la polarisabilité électrique dipolaire) et quadrupolaire de noyaux de masse moyenne à lourds. Nous vérifions que la SRPA avec soustraction corrige les problèmes observés avec la SRPA standard et améliore la description des spectres d'excitation, comparativement à la random-phase approximation (RPA). Nous étudions également les effets au-delà du champ moyen dûs à la SSRPA avec soustraction, en exploitant la relation entre les modes de respiration axiaux des noyaux et la masse effective de la matière nucléaire.Une seconde partie est dédiée à des extensions.Premièrement, nous étendons les outils numérique initiaux en utilisant l'approximation equal-filling (EFA) afin de permettre les applications aux noyaux ayant une orbitale partiellement occupée. Nous proposons ensuite une méthode d'estimation partielle des effets d'appariement en utilisant des nombres d'occupation corrélés.Une étude des moyens de renormaliser la SRPA avec soustraction est menée en employant un modèle allant au-delà de l'approximation de quasiboson. Cette extension est également basée sur l'utilisation de nombres d'occupation comme moyen d'inclure des corrélations dans l'état fondamental. Nous montrons que les corrélations obtenues par le calcul itératif en RPA des nombres d'occupation ne sont pas suffisantes pour corriger les problèmes de la SRPA standard. / This Ph.D. work falls within the scope of theoretical techniques tailored to the solution of the nuclear many-body problem. It was motivated by the perspective of using beyond-mean-field methods to improve the description of excitation spectra of stable and exotic nuclei, especially the low-energy states and the giant resonances. The chosen path in this direction is the development of models based on the second random-phase approximation (SRPA) used with a subtraction procedure. These developments aim to extend the range of applicability of the initial model and to include correlations in the ground state.A first part consists in applying the SRPA used with a subtraction method to the study of the dipole and quadrupole response in medium to heavy-mass nuclei, including the electric dipole polarizability. We verify that the subtracted SRPA corrects the problems observed with the standard SRPA model and improves the description of excitation spectra compared to the random-phase approximation (RPA). We also study beyond-mean-field effects that arise in the subtracted SRPA by exploiting the relation between the axial breathing modes in nuclei and the effective mass in nuclear matter.A second part is dedicated to extensions.As a first step, we extend the initial numerical tools by employing the equal-filling approximation (EFA), to enable the applications to nuclei with partially-occupied orbitals. We next propose a method to estimate part of the pairing effects using correlated occupation numbers.A study of possible ways to renormalize the subtracted SRPA is carried out by employing a model which goes beyond the quasiboson approximation. This extension also relies on the use of occupation numbers as a means to include ground state correlations. We show that correlations obtained from the computation of occupation numbers in iterative RPA calculations are not sufficient to address the standard SRPA drawbacks.
233

Applications of the Fokker-Planck Equation in Computational and Cognitive Neuroscience

Vellmer, Sebastian 20 July 2020 (has links)
In dieser Arbeit werden mithilfe der Fokker-Planck-Gleichung die Statistiken, vor allem die Leistungsspektren, von Punktprozessen berechnet, die von mehrdimensionalen Integratorneuronen [Engl. integrate-and-fire (IF) neuron], Netzwerken von IF Neuronen und Entscheidungsfindungsmodellen erzeugt werden. Im Gehirn werden Informationen durch Pulszüge von Aktionspotentialen kodiert. IF Neurone mit radikal vereinfachter Erzeugung von Aktionspotentialen haben sich in Studien die auf Pulszeiten fokussiert sind als Standardmodelle etabliert. Eindimensionale IF Modelle können jedoch beobachtetes Pulsverhalten oft nicht beschreiben und müssen dazu erweitert werden. Im erste Teil dieser Arbeit wird eine Theorie zur Berechnung der Pulszugleistungsspektren von stochastischen, multidimensionalen IF Neuronen entwickelt. Ausgehend von der zugehörigen Fokker-Planck-Gleichung werden partiellen Differentialgleichung abgeleitet, deren Lösung sowohl die stationäre Wahrscheinlichkeitsverteilung und Feuerrate, als auch das Pulszugleistungsspektrum beschreibt. Im zweiten Teil wird eine Theorie für große, spärlich verbundene und homogene Netzwerke aus IF Neuronen entwickelt, in der berücksichtigt wird, dass die zeitlichen Korrelationen von Pulszügen selbstkonsistent sind. Neuronale Eingangströme werden durch farbiges Gaußsches Rauschen modelliert, das von einem mehrdimensionalen Ornstein-Uhlenbeck Prozess (OUP) erzeugt wird. Die Koeffizienten des OUP sind vorerst unbekannt und sind als Lösung der Theorie definiert. Um heterogene Netzwerke zu untersuchen, wird eine iterative Methode erweitert. Im dritten Teil wird die Fokker-Planck-Gleichung auf Binärentscheidungen von Diffusionsentscheidungsmodellen [Engl. diffusion-decision models (DDM)] angewendet. Explizite Gleichungen für die Entscheidungszugstatistiken werden für den einfachsten und analytisch lösbaren Fall von der Fokker-Planck-Gleichung hergeleitet. Für nichtliniear Modelle wird die Schwellwertintegrationsmethode erweitert. / This thesis is concerned with the calculation of statistics, in particular the power spectra, of point processes generated by stochastic multidimensional integrate-and-fire (IF) neurons, networks of IF neurons and decision-making models from the corresponding Fokker-Planck equations. In the brain, information is encoded by sequences of action potentials. In studies that focus on spike timing, IF neurons that drastically simplify the spike generation have become the standard model. One-dimensional IF neurons do not suffice to accurately model neural dynamics, however, the extension towards multiple dimensions yields realistic behavior at the price of growing complexity. The first part of this work develops a theory of spike-train power spectra for stochastic, multidimensional IF neurons. From the Fokker-Planck equation, a set of partial differential equations is derived that describes the stationary probability density, the firing rate and the spike-train power spectrum. In the second part of this work, a mean-field theory of large and sparsely connected homogeneous networks of spiking neurons is developed that takes into account the self-consistent temporal correlations of spike trains. Neural input is approximated by colored Gaussian noise generated by a multidimensional Ornstein-Uhlenbeck process of which the coefficients are initially unknown but determined by the self-consistency condition and define the solution of the theory. To explore heterogeneous networks, an iterative scheme is extended to determine the distribution of spectra. In the third part, the Fokker-Planck equation is applied to calculate the statistics of sequences of binary decisions from diffusion-decision models (DDM). For the analytically tractable DDM, the statistics are calculated from the corresponding Fokker-Planck equation. To determine the statistics for nonlinear models, the threshold-integration method is generalized.
234

[pt] TEORIA DE REGULARIDADE PARA MODELOS COMPLETAMENTE NÃO-LINEARES / [en] TOWARDS A REGULARITY THEORY FOR FULLY NONLINEAR MODELS

PEDRA DARICLEA SANTOS ANDRADE 28 December 2020 (has links)
[pt] Neste trabalho examinamos equações completamente não-lineares em dois contextos distintos. A princípio, estudamos jogos de campo médio completamente não-lineares. Aqui, examinamos ganhos de regularidade para as soluções do problema, existência de soluções, resultados de relaxação e aspectos particulares de um example explícito. A segunda metade da tese dedica-se à regularidade ótima das soluções de um modelo completamente não-linear que degenera-se com respeito ao gradiente das soluções. A pergunta fundamental subjacente a ambos os tópicos diz respeito aos efeitos da elipticidade sobre propriedades intrínsecas das soluções de equações não-lineares. Mais precisamente, no caso dos jogos de campo médio, a elipticidade parece magnificada pelos efeitos do acoplamento, enquanto no caso dos problemas degenerados, esta quantidade colapsa em sub-regiões do domínio, dando origem a delicados fenômenos. Nossa análise inclui um breve contexto da inserção do trabalho. / [en] In this thesis, we examine fully nonlinear problems in two distinct contexts. The first part of our work focuses on fully nonlinear mean-field games. In this context, we examine gains of regularity, the existence of solutions, relaxation results, and particular aspects of a one-dimensional problem. The second half of the thesis concerns a (sharp) regularity theory for fully nonlinear equations degenerating with respect to the gradient of the solutions. The fundamental question underlying both topics regards the effects of ellipticity on the intrinsic properties of solutions to nonlinear equations. To be more precise, in the case of mean-field game systems, ellipticity seems to be magnified through the coupling structure. On the other hand, in the degenerate setting, ellipticity collapses, giving rise to intricate regularity phenomena. Our analysis is preceded by some context on both topics.
235

Mean-Variance Portfolio Selection Accounting for Financial Bubbles: A Mean-Field Type Approach / Portföljoptimering av medelfältstyp med hänsyn till finansiella bubblor

Häggbom, Marcus, Nafar, Shayan January 2019 (has links)
The phenomenon of financial bubbles is known to have impacted various markets since the seventeenth century. Such bubbles are known to form when the market drastically overvalues the price of an asset, causing its market value to increase hyperbolically, only to suddenly collapse once the untenable perceived future prospects of the asset are realized. Hence, it remains crucial for investors to be able to sell off assets residing within a bubble before they burst and their value is significantly diminished. Thus, portfolio optimization methods capable of accounting for financial bubbles in stock dynamics is a field of great value and interest for market participants. Portfolio optimization with respect to the mean-field is a relatively novel approach to accounting for the bubble-phenomenon. Hence, this paper investigates a previously unattempted method of portfolio optimization, providing a mean-field solution to the mean-variance trade-off problem, as well as providing new definitions of stock dynamics capable of diverting investors from bubbles. / Finansiella bubblor är ett fenomen som har påverkat marknader sedan 1600-talet. Bubblor tenderar att skapas när marknaden kraftigt övervärderar en tillgång vilket orsakar en hyperbolisk tillväxt i marknadspriset. Detta följs av en plötslig kollaps. Därför är det viktigt för investerare att kunna minska sin exponering mot aktier som befinner sig i en bubbla, så att risken för stora plötsliga förluster reduceras. Således är portföljoptimering där aktiedynamiken tar hänsyn till bubblor av högt intresse för marknadsdeltagare. Portföljoptimering med avseende på medelfältet är ett relativt nytt tillvägagångssätt för att behandla bubbelfenomen. Av denna anledning undersöks i detta arbete en hittills oprövad lösningsmetod som möjliggör en medelfältslösning till avvägningen mellan förväntad avkastning och risk. Där-utöver presenteras även ett antal nya modeller för aktier som kan bortleda investerare från bubblor.
236

Approximate Action Selection For Large, Coordinating, Multiagent Systems

Sosnowski, Scott T. 27 May 2016 (has links)
No description available.
237

Phases, Transitions, Patterns, And Excitations In Generalized Bose-Hubbard Models

Kurdestany, Jamshid Moradi 05 1900 (has links) (PDF)
This thesis covers most of my work in the field of ultracold atoms loaded in optical lattices. This thesis can be divided into five different parts. In Chapter 1, after a brief introduction to the field of optical lattices I review the fundamental aspects pertaining to the physics of systems in periodic potentials and a short overview of the experiments on ultracold atoms in an optical lattice. In Chapter 2 we develop an inhomogeneous mean-field theory for the extended Bose-Hubbard model with a quadratic, confining potential. In the absence of this poten¬tial, our mean-field theory yields the phase diagram of the homogeneous extended Bose-Hubbard model. This phase diagram shows a superfluid (SF) phase and lobes of Mott-insulator(MI), density-wave(DW), and supersolid (SS) phases in the plane of the chemical potential and on-site repulsion ; we present phase diagrams for representative values of , the repulsive energy for bosons on nearest-neighbor sites. We demonstrate that, when the confining potential is present, superfluid and density-wave order parameters are nonuniform; in particular, we obtain, for a few representative values of parameters, spherical shells of SF, MI ,DW ,and SSphases. We explore the implications of our study for experiments on cold-atom dipolar con¬densates in optical lattices in a confining potential. In Chapter3 we present an extensive study of Mottinsulator( MI) and superfluid (SF) shells in Bose-Hubbard (BH) models for bosons in optical lattices with har¬monic traps. For this we develop an inhomogeneous mean-field theory. Our results for the BH model with one type of spinless bosons agrees quantitatively with quan¬tum Monte Carlo(QMC) simulations. Our approach is numerically less intensive than such simulations, so we are able to perform calculations on experimentally realistic, large three-dimensional(3D) systems, explore a wide range of parameter values, and make direct contact with a variety of experimental measurements. We also generalize our inhomogeneous mean-field theory to study BH models with har¬monic traps and(a) two species of bosons or(b) spin-1bosons. With two species of bosons we obtain rich phase diagrams with a variety of SF and MI phases and as¬sociated shells, when we include a quadratic confining potential. For the spin-1BH model we show, in a representative case, that the system can display alternating shells of polar SF and MI phases; and we make interesting predictions for experi¬ments in such systems. . In Chapter 4 we carry out an extensive study of the phase diagrams of the ex-tended Bose Hubbard model, with a mean filling of one boson per site, in one dimension by using the density matrix renormalization group and show that it contains Superfluid (SF), Mott-insulator (MI), density-wave (DW) and Haldane ¬insulator(HI) phases. We show that the critical exponents and central charge for the HI-DW,MI-HI and SF-MI transitions are consistent with those for models in the two-dimensional Ising, Gaussian, and Berezinskii-Kosterlitz-Thouless (BKT) uni¬versality classes, respectively; and we suggest that the SF-HI transition may be more exotic than a simple BKT transition. We show explicitly that different bound¬ary conditions lead to different phase diagrams.. In Chapter 5 we obtain the excitation spectra of the following three generalized of Bose-Hubbard(BH) models:(1) a two-species generalization of the spinless BH model, (2) a single-species, spin-1 BH model, and (3) the extended Bose-Hubbard model (EBH) for spinless interacting bosons of one species. In all the phases of these models we show how to obtain excitation spectra by using the random phase approximation (RPA). We compare the results of our work with earlier studies of related models and discuss implications for experiments.
238

Modélisation au sein de la DFT des propriétés des structures électronique et magnétique et de liaison chimique des Hydrures d’Intermétalliques / DFT modeling of the electronic and magnetic structures and chemical bonding properties of intermetallic hydrides

Al Alam, Adel F. 26 June 2009 (has links)
Cette thèse présente une étude modélisatrice de différentes familles d'intermétalliques et de leurs hydrures qui présentent un intérêt à la fois fondamental et appliqué. Deux méthodes complémentaires construites au sein de la théorie de la fonctionnelle densité (DFT) ont été choisies : d'une part celle à base de pseudo potentiels (VASP) pour l'optimisation géométrique, la recherche structurale et la cartographie de localisation électronique (ELF), d'autre part celle de type "tous-électrons" (ASW), pour une description détaillée de la structure électronique, des propriétés de liaison chimique suivant différents schémas et des quantités impliquant les électrons de c\oe ur comme le champ hyperfin. Un accent particulier est mis sur les rôles compétitifs des effets magnétovolumiques par rapport à ceux chimiques (liaison métal-H) dans les phases hydrurées, binaires de Laves (ex. ScFe2) et de Haucke (ex. LaNi5) et ternaires à base de cérium (ex. CeRhSn) et d'uranium (ex. U2Ni2Sn). / This thesis presents an ab initio study of several classes of intermetallics and their hydrides. These compounds are interesting from both a fundamental and an applied points of view. To achieve this aim two complementary methods, constructed within the DFT, were chosen : (i) pseudo potential based VASP for geometry optimization, structural investigations and electron localization mapping (ELF), and (ii) all-electrons ASW method for a detailed description of the electronic structure, chemical bonding properties following different schemes as well as quantities depending on core electrons such as the hyperfine field. A special interest is given with respect to the interplay between magnetovolume and chemical interactions (metal-H) effects within the following hydrided systems : binary Laves (e.g. ScFe2) and Haucke (e.g. LaNi5) phases on one hand, and ternary cerium based (e.g. CeRhSn) and uranium based (e.g. U2Ni2Sn) alloys on the other hand.
239

Pathological synchronization in neuronal populations : a control theoretic perspective / Vision Automatique de la synchronisation neuronale pathologique

Franci, Alessio 06 April 2012 (has links)
Dans la première partie de cette thèse, motivée par le développement de la stimulation cérébrale profonde comme traitement des symptômes moteurs de la maladie de Parkinson, nous considérons le problème de réduire la synchronie d'une population neuronale par l'intermédiaire d'une stimulation électrique en boucle fermée. Ceci, sous les contraintes que seule la tension de membrane moyenne de l'ensemble est mesurée et qu'un seul signal de stimulation est disponible (retour du champ moyen). La population neuronale est modélisée comme un réseau d'oscillateurs de Landau-Stuart contrôlé par un dispositif de rétroaction mono-entrée mono-sortie. En nous basant sur la dynamique de phase associée au système, nous analysons l'existence et la robustesse des solutions à verrouillage de phase, modélisant l'état pathologique, et nous dérivons des conditions nécessaires à une désynchronisation efficace par retour du champ moyen. Des conditions suffisantes sont ensuite dérivées pour deux objectifs de contrôle: l'inhibition et la désynchronisation neuronale. Notre analyse suggère que, en fonction de l'intensité du gain de rétroaction, le retour du champ moyen peut soit bloquer l'oscillation collective (inhibition neuronale) soit désynchroniser l'ensemble.Dans la deuxième partie, nous explorons deux voies possibles pour l'analyse des problèmes similaires dans des modèles biologiquement plus plausibles. Dans la première, la population est modélisée comme une interconnexion d'opérateurs entrée-sortie non-linéaires et la synchronisation neuronale est analysée en s'appuyant sur une approche entré-sortie récemment développée. Dans la seconde, les propriétés d'excitabilité et de synchronisabilité des neurones sont analysées via les bifurcations sous-jacentes. En nous basant sur la théorie des formes normales, un nouveau modèle réduit est dérivé pour capturer les comportements d'une grande classe de neurones qui restent inexpliqués dans les modèles réduits existants. / In the first part of this thesis, motivated by the development of deep brain stimulation for Parkinson's disease, we consider the problem of reducing the synchrony of a neuronal population via a closed-loop electrical stimulation. This, under the constraints that only the mean membrane voltage of the ensemble is measured and that only one stimulation signal is available (mean-field feedback). The neuronal population is modeled as a network of interconnected Landau-Stuart oscillators controlled by a linear single-input single-output feedback device. Based on the associated phase dynamics, we analyze existence and robustness of phase-locked solutions, modeling the pathological state, and derive necessary conditions for an effective desynchronization via mean-field feedback. Sufficient conditions are then derived for two control objectives: neuronal inhibition and desynchronization. Our analysis suggests that, depending on the strength of feedback gain, a proportional mean-field feedback can either block the collective oscillation (neuronal inhibition) or desynchronize the ensemble.In the second part, we explore two possible ways to analyze related problems on more biologically sound models. In the first, the neuronal population is modeled as the interconnection of nonlinear input-output operators and neuronal synchronization is analyzed within a recently developed input-output approach. In the second, excitability and synchronizability properties of neurons are analyzed via the underlying bifurcations. Based on the theory of normal forms, a novel reduced model is derived to capture the behavior of a large class of neurons remaining unexplained in other existing reduced models.
240

j = 3/2 Quantum spin-orbital liquids / Líquidos spin-orbitais quânticos j = 3/2

Natori, Willian Massashi Hisano 17 August 2018 (has links)
Quantum spin liquids (QSLs) are strongly correlated systems displaying fascinating phenomena like long-range entanglement and fractionalized excitations. The research on these states has since its beginning followed trends generated by the synthesis of new compounds and the construction of new theoretical tools. In coherence with this history, a manifold of new results about QSLs were established during the past decade due to studies on the integrable Kitaev model on the honeycomb lattice. This j = 1/2 model displays bond-dependent and anisotropic exchanges that are essential to stabilize its QSL ground state with Majorana fermion excitations and emergent Z2 gauge field. Even more interestingly, this model is relevant to understand the magnetism of a certain class of 4/5d5 Mott insulators with specific lattice constraints, t2g orbital degeneracy and strong spin-orbit coupling (SOC). This mechanism defining these so-called Kitaev materials can be applied to similar compounds based on transition metal ions in different electronic configurations. In this thesis, I investigate minimal models for two types of 4/5d1 Mott insulators: the ones on the ordered double perovskite structure (ODP) and the ones isostructural to the Kitaev materials. Their effective models generically show bond-dependent and anisotropic interactions involving multipoles of an effective j = 3/2 angular momentum. Such degrees of freedom are conveniently written in terms of pseudospin s and pseudo-orbital τ operators resembling spin and orbital operators of Kugel-Khomskii models with twofold orbital degeneracy. Despite their anisotropy, the two realistic models display continuous global symmetries in the limit of vanishing Hund\'s coupling enhancing quantum fluctuations and possibly stabilizing a QSL phase. Parton mean-field theory was used to propose fermionic QSLs that will be called quantum spin-orbital liquids (QSOLs) due their dependence with s and τ. On ODPs, I studied a chiral QSOL with Majorana fermion excitations and a gapless spectrum characterized by nodal lines along the edges of the Brillouin zone. These nodal lines are topological defects of a non-Abelian Berry connection and the system exhibits dispersing surface states. Several experimental responses of the chiral QSOL within the mean-field approximation are compared with the experimental data available for the spin liquid candidate Ba2YMoO6. Moreover, based on a symmetry analysis, I discuss the operators involved in resonant inelastic X-ray scattering (RIXS) amplitudes for 4/5d1 Mott insulators and show that the RIXS cross sections allow one to selectively probe pseudospin and pseudo-orbital degrees of freedom. For the chiral spin-orbital liquid in particular, these cross sections provide information about the spectrum for different flavors of Majorana fermions. The model for materials isostructural to the Kitaev materials has an emergent SU(4) symmetry that is made explicit by means of a Klein transformation on pseudospin degrees of freedom. The model is known to stabilize a QSOL on the honeycomb lattice and instigated the investigation of QSOLs on a generalization of this lattice to three dimensions. Parton mean-field theory was used once again to propose the liquid states, and a variational Monte Carlo (VMC) method was used to compute the energies of the projected wave functions. The numerical results show that the lowest-energy QSOL corresponds to a zero-flux state with a Fermi surface of four-color fermionic partons. Further VMC computations also revealed that this state is stable against formation of plaquette ordering (tetramerization). The energy of this QSOL is highly competitive even when Hund\'s coupling induced perturbations are included, as shown by comparison with simple ordered states. Extensions and perspectives for future work are discussed in the end of this thesis. / Líquidos de spin quânticos (QSLs) são sistemas fortemente correlacionados que apresentam fenômenos fascinantes como emaranhamento de longo alcance e excitações fracionárias. A pesquisa a respeito destes estados seguiu tendências geradas pela síntese de novos compostos e construção de novas técnicas teóricas desde seu princípio. Coerentemente com essa história, uma variedade de novos resultados a respeito de líquidos de spin foram estabelecidos na última década graças a estudos feitos sobre o modelo integrável de Kitaev na rede colmeia. Este modelo de spins j = 1/2 apresenta interações de troca anisotrópicas e direcionalmente dependentes que são essenciais para estabilizar um estado fundamental do tipo QSL com férmions de Majorana e campo de gauge Z2 emergente. Ainda mais interessante, este modelo é relevante para se entender o magnetismo de uma certa classe de isolantes de Mott baseados em metais de transição na configuração 4/5d5 em redes específicas, degenerescência orbital t2g e acoplamento spin-órbita forte (SOC). Esse mecanismo que define os chamados materiais do tipo Kitaev podem ser aplicados a compostos baseados em metais de transição em configurações eletrônicas diferentes. Nesta tese, eu investigo modelos mínimos para dois tipos de isolantes de Mott do tipo 4/5d1: os que se apresentam na estrutura perovskita dupla ordenada (ODP) e os isostruturais aos materiais do tipo Kitaev. Seus modelos efetivos genericamente apresentam interações multipolares anisotrópicas e direcionalmente dependentes de um momento angular efetivo j = 3/2. Estes graus de liberdade são convenientemente escritos em termos de operadores de pseudospin s e pseudo-orbital τ semelhantes a operadores de spin e orbital de modelos do tipo Kugel-Khomskii com orbitais duplamente degenerados. A despeito da anisotropia, esses dois modelos realísticos apresentam simetrias globais contínuas no limite de acoplamento de Hund nulo que incrementam flutuações quânticas e possivelmente estabilizam uma fase do tipo QSL. A teoria de campo médio com partons foi usada para propor QSLs fermiônicos que serão chamados de líquidos spin-orbitais quânticos (QSOLs) devido à dependência deles com s e τ. Em ODPs, eu estudei um líquido de spin quiral com excitações do tipo férmion de Majorana e um espectro sem gap caracterizado por linhas nodais ao longo das arestas da zona de Brillouin. Essas linhas nodais são defeitos topológicos de uma conexão de Berry não-abeliana e o sistema apresenta estados de superfície dispersivos. Várias respostas experimentais foram calculadas para o QSOL quiral dentro da aproximação de campo médio e comparadas com os dados experimentais disponíveis para o candidato a líquido de spin Ba2YMoO6. Além disso, baseado em uma análise de simetria, discuto os operadores envolvidos nas amplitudes de espalhamento de raios-x ressonante para isolantes de Mott na configuração 4/5d1 e mostro que seções de choque de RIXS permitem estudar seletivamente os graus de liberdade de pseudospins e pseudo-orbitais. Para o caso particular do líquido spin-orbital quiral, essas seções de choque nos fornecem informações sobre o espectro de diferentes sabores de férmions de Majorana. Esse modelo possui uma simetria SU(4) emergente que é tornada explícita através de uma transformações de Klein nos graus de liberdade de pseudospin. Sabe-se que este modelo estabiliza um QSOL na rede colmeia, o que instigou uma investigação de QSOLs na generalização desta rede em três dimensões. A teoria de campo médio com partons foi usada novamente para propor estes líquidos quânticos, e o método de Monte Carlo Variacional (VMC) foi usado para calcular as energias das funções de onda projetadas. Os resultados numéricos mostraram que o QSOL de menor energia corresponde a um estado de fluxo-zero com superfície de Fermi envolvendo partons fermiônicos de quatro cores. Cálculos adicionais com VMC também demonstraram que este estado é estável à formação de ordem de plaquetas (tetramerização). A energia deste QSOL é altamente competitiva mesmo quando perturbações induzidas pelo acoplamento de Hund são incluídas, o que é mostrado através da comparação com estados ordenados simples. Extensões e perspectivas para trabalhos futuros são discutidas no final desta tese.

Page generated in 0.0264 seconds