Les progrès technologiques dans la fabrication des semi-conducteurs permettent, depuis le début des années 80, de réaliser des dispositifs dans lesquels les électrons sont fortement confinés dans un plan, on parle de système d'électrons bidimensionnels. L'application d'un champ magnétique perpendiculaire intense à ce système permit l'observation des effets Hall quantiques (EHQ), entier en 1980 puis fractionnaire en 1982. En présence du champ magnétique et aux températures extrêmement faibles qui sont concernées, le spectre énergétique des électrons bidimensionnels est quantifié en niveaux de Landau macroscopiquement dégénérés. Le comportement du système est alors déterminé par le facteur de remplissage des niveaux de Landau. L'EHQ entier apparaît autour des valeurs de champ magnétiques qui correspondent à un remplissage entier des niveaux Landau, tandis que son pendant fractionnaire est obtenu autour de certaines fractions du facteur de remplissage ν (ν =1/3, 2/5, 5/2, …) . Alors qu'à remplissage ν entier c'est le comportement individuel des électrons qui gouverne le comportement du système, aux facteurs de remplissage fractionnaires les corrélations électroniques dominent. En raison de ce caractère fortement corrélé, l'EHQ fractionnaire sous-tend un effort de recherche expérimental et théorique important depuis sa découverte. En effet, dans le régime fractionnaire les corrélations fortes induisent des propriétés inédites telles l'existence de quasi-particules de charge fractionnaire, mais elles rendent également la description théorique du système ardue. En 1983, Robert Laughlin proposa une fonction d'onde variationnelle modèle pour la description de l'EHQ fractionnaire observé à remplissage ν=1/3, dont il discuta la validité au regard d'une étude numérique approfondie des interactions entre les électrons. Le succès de cette méthode l'éleva au rang de paradigme, et de nombreuses fonctions d'onde d'essai ont depuis été proposées pour l'explication des effets Hall quantiques observés aux autres facteurs de remplissages. Notamment, la fonction d'onde de Moore et Read s'avère pertinente pour la description de l'EHQ observé à demi-remplissage du second niveau de Landau. Celle-ci suggère l'existence de quasi-particules non-abéliennes qui génère des espoirs importants de par ses applications potentielles en informatique quantique protégée topologiquement. Bien que l'EHQ ait également été observé à demi-remplissage du plus bas niveau de Landau, la nature de l'état sous-jacent est encore débatue. Celui-ci n'est observé que dans les systèmes bicouches et dans les puits larges qui sont au centre de ce travail de thèse. Les puits larges désignent les systèmes dans lesquels l'épaisseur du système d'électrons bidimensionnel ne peut plus être négligée, typiquement à des épaisseurs de l'ordre de 100 nm. En raison du potentiel de confinement ressenti par les électrons, leurs niveaux d'énergies dans la direction du confinement sont quantifiés en sous-bandes. Dans un puits extrêmement fin seule la plus basse sous-bande est peuplée et le degré de liberté correspondant est alors gelé, mais dans les puits large les sous-bandes excitées sont pertinentes. Dans ces conditions l'EHQ fractionnaire à demi-remplissage peut également résulter de la stabilisation d'un état à deux composantes qui peuple les sous-bande excitées. Cet état proposé par Bertrand Halperin en 1983 entre en compétition avec l'état de Moore et Read. En plus de ces deux états, un état métallique de fermions composite est possible, ainsi qu'un cristal électronique de Wigner au comportement isolant. La compétition entre ces différents états est arbitrée par une étude de Monte-Carlo variationnel combinée à des calculs de diagonalisation exacte. La nature de l'état qui est stabilisé dépend de la nature du potentiel de confinement. Dans ce manuscrit de thèse sont discutés les dispositifs de la bicouche, du puits large, ainsi que du puits large en présence d'un biais externe. / Due to technological advances in the manufacture of semiconductors enable, in it possible since the early 80s to create devices in which electrons are strongly confined in a plane, thus effectively realizing a two-dimensional electron system. The application of a strong perpendicular magnetic field to this system led to the observation of the integer quantum Hall effect (QHE) in 1980 and fractional QHE in 1982. Under a strong magnetic field the energy spectrum of the two-dimensional electrons is quantified in Landau levels that are macroscopically degenerate, and the behavior of the system is governed by the filling factor of Landau levels. The integer QHE appears around magnetic field values ​​which correspond to an integer filling of the Landau levels, while the fractional equivalent is obtained around certain fractions of the filling factor ν (ν = 1/3, 2/5, 5 / 2, ...). Although for integers values of ν is the individual behavior of electrons dictates the behavior of the system, the fractional filling factors the electronic correlations dominate. Because of those strong correlations, the underlying fractional QHE motivates an important experimental and theoretical research effort since its discovery. Indeed, in the fractional regime the strong correlations induce novel properties such as the existence fractionally-charged quasiparticles, but they also make the theoretical description of the system laborious. In 1983 Robert Laughlin proposed a variational wave function model for the description of the QHE observed at fractional filling ν = 1/3. He discussed the validity of this trial wave function in a comprehensive numerical study of interactions between electrons. The success of this method made it a paradigm, and many test wave functions have been proposed since then for the explanation of quantum Hall effects observed with other fillings factors. In particular, the wave function of Moore and Read is relevant for the description of the QHE observed at half-filling the second Landau level. This suggests the existence of non-Abelian quasiparticles with potential applications in topologically-protected quantum computing. QHE has also been observed at half filling the lowest Landau level, but the nature of the underlying quantum state is still debated; it is observed that in bilayer systems and wells wide. The large wells, which are the focus of this thesis, refer to systems in which the thickness of the two-dimensional electron system cannot be trivially neglected and usually corresponds to a thickness of about 100 nm. Due to the confinement potential felt by the electrons, their energy levels in the direction of confinement are quantized in sub-bands. In a narrow well only the lowest subband is populated and the corresponding degree of freedom is thus frozen, but in a wide well the excited sub-bands are relevant. Under these conditions fractional QHE at half-filling can also result from the stabilization of a two-state components that also populates the excited sub-band. The corresponding trial state, proposed by Bertrand Halperin in 1983, competes with the state of Moore and Read. In addition to these two states, a metal composite fermion state is a relevant trial state as well as an electronic Wigner crystal, the latter behaving as an insulator. The competition between these states is refered by a variational Monte-Carlo study combined with exact diagonalization calculations. The nature of the state that is stabilized depends on the nature of the confinement potential. In this PhD thesis three confinement potentials are studied: the bilayer, the wide well, and the wide well in the presence of an external bias.

The first and main part of this thesis concerns the quantization of the transverse transport in diverse periodic quantum systems. From a theoretical point of view, the Hall conductivity's quantization may be understood at the single-particle level in terms of topological invariants. In periodic media such as crystals, the single-particle energy spectrum depicts a specific band structure. A modern approach, based on topology and differential geometry, consists in assigning an abstract mathematical object, a fibre bundle, to each energy band. The fibre bundle's topology is measured by a topological invariant, called the Chern number, which only takes integral values. Surprisingly, the transverse conductivity can be expressed as a sum of Chern numbers. In this work, one provides a rigorous derivation of this fact and one presents several methods which allow the numerical and analytical computation of the Chern numbers for diverse systems. <p><p>The first original study concerns the physics of ultracold atoms trapped in optical lattices. These very popular experimental setups, which are currently designed in several laboratories worldwide, allow for the exploration of fundamental problems encountered in modern physics. In particular atoms trapped in optical lattices reproduce with a very high accuracy the physics of the Hubbard-type models which describe a huge variety of condensed <p>matter phenomena, such as high-Tc superconductivity and the Mott quantum phase transition. Particularly interesting is the possibility to create artificial magnetic fields in optical lattices. Generated by complex laser configurations or by rotation of the trap, these artificial fields allow the simulation of electronic systems subjected to intense magnetic fields. In this thesis, one explores the possibility of a quantum Hall-like effect for neutral particles in such arrangements. In particular one focuses on the exotic situation in which non-Abelian gauge potentials are generated in the system. In these interesting arrangements, the atomic hoppings are assisted by external lasers and are described by non-commutating translation operators. The non-Abelian fields which are generated in these systems are well known in high-energy physics, where they play a key role in modern theories of fundamental interactions. <p>Thereafter, our study of the IQHE in periodic systems concerns quantum graphs. These models which describe the propagation of a quantum wave within an arbitrary complex object are extremely versatile and hence allow the study of various interesting quantum phenomena. Quantum graphs appear in diverse fields such as solid state physics, quantum chemistry, quantum chaology and wave physics. On the other hand, in the context of quantum chaology, graphs have been the vehicle to confirm important conjectures about chaos signatures. In this thesis, one studies the spectral and chaological properties of infinite rectangular quantum graphs in the presence of a magnetic field. One then establishes the quantization of the Hall transverse conductivity for these systems.<p><p>The second part of the thesis is devoted to the physics of interacting atoms trapped in optical lattices and subjected to artificial gauge potentials. One explores the Mott quantum phase transition in both bosonic and fermionic optical lattices subjected to such fields. The optical lattices are described through the Hubbard model in which the dynamics is ruled by two competing parameters: the interaction strength U and the tunneling amplitude t. The Mott phase is characterized by a commensurate filling of the lattice and is reached by increasing the ration U/t, which can be easily achieved experimentally by varying the depth of the optical potential. In this thesis one studies how this quantum phase transition is modified when the optical lattice is subjected to diverse artificial gauge potentials. <p><p>Moreover, one shows that vortices are created in bosonic optical lattices in the vicinity of the Mott regime. The vortices are topological defects in the macroscopic wave function that describes the superfluid. One comments on the vortex patterns that are observed for several configurations of the gauge potential. <p><p>%%%%%%%%%%%%%%%%%%%%%<p>%%%%%%%%%%%%%%%%%%%%%<p>%%%%%%%%%%%%%%%%%%%%%<p><p><p>La physique statistique quantique prédit l’émergence de propriétés remarquables lorsque la matière est soumise à des conditions extrêmes de basses températures. Aujourd’hui ces nouvelles phases de la matière jouent un rôle fondamental pour les technologies actuelles et ainsi méritent d’être étudiées sur le plan théorique. <p><p>Dans le cadre de ma thèse, j’ai étudié l’effet Hall quantique qui se manifeste dans des systèmes bidimensionnels ultra froids et soumis à des champs magnétiques intenses. Cet effet remarquable se manifeste par la quantification parfaite d’un coefficient de transport appelé conductivité de Hall. Cette grandeur physique évolue alors sur divers plateaux qui correspondent à des valeurs entières d’une constante fondamentale de la nature. D’un point de vue théorique, cette quantification peut être approchée par la théorie des espaces fibrés qui permet d’exprimer la conductivité de Hall en termes d’invariants topologiques. <p><p>Nous explorons l'effet Hall quantique pour différents systèmes en nous appuyant sur l’interprétation topologique de la quantification de la conductivité de Hall. Nous démontrons ainsi que l’effet Hall quantique se manifeste aussi bien dans les métaux que dans les graphes quantiques et les réseaux optiques. Les graphes quantiques sont des modèles permettant l’étude du transport dans des circuits fins, alors que les réseaux optiques sont des dispositifs actuellement réalisés en laboratoire qui piègent des atomes froids de façon périodique. Considérant différents champs magnétiques externes et variant la géométrie des systèmes, nous montrons que cet effet subit des modifications remarquables. Notamment, l’effet Hall quantique est représenté par des diagrammes des phases impressionnants :les multiples phases correspondant à la valeur entière de la conductivité de Hall se répartissent alors dans des structures fractales. De plus, ces diagrammes des phases se révèlent caractéristiques des différents systèmes étudiés. <p><p>D’autre part, nous étudions la transition quantique de Mott dans les réseaux optiques. En augmentant l’interaction entre les particules, le système devient isolant et se caractérise par le remplissage homogène du réseau. Nous étudions également l’apparition de tourbillons quantiques lorsque le système est soumis à un champ magnétique au voisinage de la phase isolante. / Doctorat en Sciences / info:eu-repo/semantics/nonPublished

Topologically ordered phases flamboyance a cornucopia of intriguing phenomena that cannot be perceived in the conventional phases including the most striking property of hosting anyon quasiparticles having fractional charges and fractional statistics. Such phases were discovered with the remarkable experiment of the fractional quantum Hall effect and are drawing a lot of recognition. Realization of these phases on lattice systems and study of the anyon quasiparticles there are important and interesting avenue to research in unraveling new physics, which can not be found in the continuum, and this thesis is an important contribution in that direction. Also such lattice models hosting anyons are particularly important to control the movement of anyons while experimentally implemented with ultra-cold atoms in optical lattices. We construct lattice models by implementing analytical states and parent Hamiltonians on two-dimensional plane hosting non-Abelian anyons, which are proposed candidates for quantum computations. Such lattice models are suitable to create both quasiholes and quasielectrons in the similar way and thereby avoiding the singularity problem for the quasielectrons in continuum. Anyons in these models are found to be well-screened with proper charges and right statistics. Going beyond two dimensions, we unravel the intriguing physics of topologically ordered phases of matter in fractional dimensions such as in the fractal lattices by employing our model constructions of analytical states and parent Hamiltonians there. We find the anyons to be well-screened with right charges and statistics for all dimensions. Our work takes the first step in bridging the gap between two dimensions and one dimension in addressing topological phases which reveal new physics. Our constructions are particularly important in this context since such lattices lack translational symmetry and hence become unsuitable for the fractional Chern insulator implementations. The special features of topologically ordered phases make these difficult to probe and hence the detection of topological quantum phase transitions becomes challenging. The existing probes suffer from shortcomings uo-to a large extent and therefore construction of new type of probes become important and are on high demand. The robustness of anyon properties draw our attention to propose these as detector of topological quantum phase transitions with significant advantages including the facts that these are numerically cheaper probes and are independent of the boundary conditions. We test our probe in three different examples and find that simple properties like anyon charges detect the transitions. / Topologisch geordnete Phasen extravagieren ein Füllhorn faszinierender Phänomene, die in den herkömmlichen Phasen nicht wahrgenommen werden können, einschließlich der auffälligsten Eigenschaft, Quasiteilchen mit fraktionierten Ladungen und fraktion- ierten Statistiken aufzunehmen. Solche Phasen wurden mit dem bemerkenswerten Exper- iment des fraktionierten Quanten-Hall-Effekts entdeckt und finden viel Anerkennung. Die Realisierung dieser Phasen auf Gittersystemen und die Untersuchung der Anyon- Quasiteilchen sind wichtige und interessante Wege zur Erforschung der Entschlüsselung neuer Physik, die im Kontinuum nicht zu finden sind, und diese These ist ein wichtiger Beitrag in diese Richtung. Auch solche Gittermodelle, die Anyons enthalten, sind beson- ders wichtig, um die Bewegung von Anyons zu steuern, während sie experimentell mit ultrakalten Atomen in optischen Gittern implementiert werden. Wir konstruieren Gittermodelle, indem wir analytische Zustände und Eltern-Hamiltonianer auf einer zwei- dimensionalen Ebene implementieren, die nicht-abelsche Anyons enthält, die als Kan- didaten für Quantenberechnungen vorgeschlagen werden. Solche Gittermodelle sind geeignet, sowohl Quasi-Löcher als auch Quasielektronen auf ähnliche Weise zu erzeu- gen und dadurch das Singularitätsproblem für die Quasielektronen im Kontinuum zu vermeiden. Jeder in diesen Modellen wird mit angemessenen Gebühren und richtigen Statistiken gut überprüft. Über zwei Dimensionen hinaus enträtseln wir die faszinierende Physik topologisch geordneter Phasen der Materie in fraktionierten Dimensionen wie in den fraktalen Gittern, indem wir dort unsere Modellkonstruktionen von analytischen Zuständen und Eltern-Hamiltonianern verwenden. Wir finden, dass die Anyons mit den richtigen Gebühren und Statistiken für alle Dimensionen gut überprüft werden. Unsere Arbeit macht den ersten Schritt, um die Lücke zwischen zwei Dimensionen und einer Dimension zu schließen und topologische Phasen anzugehen, die neue Physik enthüllen. Unsere Konstruktionen sind in diesem Zusammenhang besonders wichtig, da solche Gitter keine Translationssymmetrie aufweisen und daher für die fraktionierten Chern- Isolatorimplementierungen ungeeignet werden. Die besonderen Merkmale topologisch geordneter Phasen machen es schwierig, diese zu untersuchen, und daher wird die Detek- tion topologischer Quantenphasenübergänge schwierig. Die vorhandenen Sonden leiden in hohem Maße unter Mängeln, weshalb die Konstruktion neuer Sondenarten wichtig wird und eine hohe Nachfrage besteht. Die Robustheit der Anyon-Eigenschaften lenkt unsere Aufmerksamkeit darauf, diese als Detektor für topologische Quantenphasenübergänge mit signifikanten Vorteilen vorzuschlagen, einschließlich der Tatsache, dass dies numerisch billigere Sonden sind und von den Randbedingungen unabhängig sind. Wir testen unsere Sonde in drei verschiedenen Beispielen und stellen fest, dass einfache Eigenschaften wie Ladungen die Übergänge erfassen.

No description available.

Nous avons étudié la formation de nanogaps par électromigration dans des nanofils d'or. Cette technique consiste à provoquer la rupture d'un nanofil en lui appliquant de fortes densités de courant et peut être utilisée pour la caractérisation électrique de nano-objets. L'étude en temps réel du processus d'électromigration par microscopie à force atomique a permis d'apporter un éclairage nouveau de la dynamique du processus. En effet, il apparaît que la structure globale du dispositif est définie dans les premiers temps de l'électromigration et nous avons montré que cette structure est directement liée à la microstructure du film métallique. Pour la première fois, des nanogaps ont été élaborés par électromigration dans des films monocristallins. Malgré l'absence de joints de grain, il est possible de former des nanogaps dans un matériau épitaxié. L'utilisation de ces matériaux permet d'obtenir des nanogaps avec une morphologie plus reproductible. Les propriétés de transports des nanogaps obtenus à partir de films polycristallins ont été caractérisées. Les caractéristiques obtenues présentent toutes des signatures particulières, attribuées à la présence d'agrégats d'or provenant de la procédure d'électromigration et/ou de polymères issus du procédé de nanofabrication. Ces résultats montrent la difficulté à réaliser des mesures à l'échelle de la molécule unique.

Graphene is widely considered to be a promising candidate for a new generation of electronics, but there are many outstanding fundamental issues that need to be addressed before this promise can be realized. This thesis focuses on the production and properties of graphene grown epitaxially on the carbon terminated face (C-face) of hexagonal silicon carbide leading to the construction of a novel graphene transistor structure. C-face epitaxial graphene multilayers are unique due to their rotational stacking that causes the individual layers to be electronically decoupled from each other. Well-formed C-face epitaxial graphene single layers have exceptionally high mobilities (exceeding 10,000 cm ²/Vs), which are significantly greater than those of Si-face graphene monolayers. This thesis investigates the growth and properties of C-face single layer graphene. A field effect transistor based on single layer graphene was fabricated and characterized for the first time. Aluminum oxide or boron nitride was used for the gate dielectric. Additionally, an all graphene/SiC Schottky barrier transistor on the C-face of SiC composed of 2DEG in SiC/Si₂O ₃ interface and multilayer graphene contacts was demonstrated. A multiple growth scheme was adopted to achieve this unique structure.

Non-Abelian excitations, including Majorana fermions, parafermions, and Fibonacci anyons, provide potential new settings for realizations of topological quantum computation operations. Topological quantum systems have the advantage of being protected against some types of entanglement with the surrounding environment, but their elusive nature has inspired many to pursue rare systems in which they may be physically realized. In this work we present a new platform for production of parafermions in the ν=1/3 fractional quantum hall effect regime in a two-dimensional hole gas in a Gallium Arsenide quantum well, where spin transitions in the rich Γ₈ Luttinger ground state can be manipulated by gate-controlled electric fields. When numerical and analytical calculations of many-particle interactions combine with a proximity-induced superconducting pairing potential in this system, the spin transition we observe gives rise to a superconducting gap with an onset of six-fold degenerate ground state which disappears at critical values of the gap parameter Δ_k, the energetic signature associated with parafermion production.<br>

O efeito Hall quântico surge em gases de elétrons bidimensionais (2DEG) na presença de altos campos magnéticos B. O campo magnético quantiza o movimento planar dos elétrons em órbitas ciclotrônicas caracterizadas pelos níveis de Landau. Neste regime a resistividade transversal (ou Hall) &rho;xy em função de B exibe platôs em submúltiplos inteiros de e2/h, i.e., &rho;xy = &nu;-1 e2/h, sendo &nu; o fator de preenchimento dos níveis de Landau. Por sua vez, a resistividade longitudinal &rho;xx apresenta picos nas transições entre platôs de &rho;xy. Em primeira instância, &rho;xx é uma medida indireta da densidade de estados no nível de Fermi g(&epsilon;F), e os picos dos mesmos indicam cruzamentos do nível de Fermi &epsilon;F com niveis de Landau. Assim, o diagrama de densidade de elétrons n2D e B dos picos de &rho;xx ~ g(&epsilon;F) fornece um mapa topológico da estrutura eletrônica do sistema. Em sistemas de duas subbandas, &rho;xx(n2D, B) exibe estruturas em forma de anel devido a cruzamentos de níveis de Landau de subbandas distintas [experimentos do grupo do Prof. Jiang (UCLA)]. Estes cruzamentos podem ainda levar a instabilidades ferromagnéticas. Investigamos estas instabilidades usando a teoria do funcional da densidade (DFT) para o cálculo da estrutura eletrônica, e o modelo de Ando (formalismo de Kubo) para o cálculo de &rho;xx e &rho;xy. Para temperaturas mais altas (340 mK) obtemos as estruturas em forma de anel em &rho;xx. Para temperaturas mais baixas (70 mK), observamos uma quebra dos anéis devido a transições de fase ferromagnéticas. Variando-se o ângulo &theta; de B com relação ao 2DEG observa-se o encolhimento do anel. Nossos resultados mostram que o ângulo de colapso total do anel depende de uma competição entre o termo de troca da interação de Coulomb (princípio de Pauli) e cruzamentos evitados devido ao ângulo &theta; finito. As transições de fase exibem ainda o fenômeno de histerese. Na região de instabilidade ferromagnética obtemos diferentes soluções variando B de forma crescente ou decrescente. Estas soluções possuem energias total diferentes, de forma que representam estados fundamental e excitado de muitos corpos. Esta observação, juntamente com resultados anteriores do grupo [Freire & Egues (2007)], representam as primeiras realizações teóricas da previsão da possibilidade de estados excitados como mínimos locais do funcional de energia do estado fundamental [Perdew & Levy (1985)]. O modelo aqui proposto fornece excelente acordo com os experimentos considerados. Adicionalmente, a observação sistemática e experimentalmente verificada dos estados excitados valida as previsões de Perdew & Levy. Aplicamos ainda estas mesmas ideias no cálculo da estrutura eletrônica e condutância de fios quânticos na presença de campos magnéticos, mostrando que cruzamentos de modos transversais também exibem instabilidades ferromagnéticas observadas em experimentos recentes [Dissertação de Mestrado de Filipe Sammarco, IFSC/USP], fortalecendo a validade do modelo apresentado nesta tese. / The quantum Hall effect arises in two dimensional electron gases (2DEG) under high magnetic fields B. The magnetic field quantizes the planar motion of the electrons into cyclotron orbits given by the Landau levels. In this regime the transversal (Hall) resistivity &rho;xy shows plateaus as a function of B at integer sub-multiples of e2/h, i.e., &rho;xy = &nu;-1 e2/h, where n is the filling factor of the Landau levels. The longitudinal resistivity &rho;xx shows peaks at the transition between the plateaus of &rho;xy. In principle, &rho;xx is an indirect measure of the density of states at the Fermi level g(&epsilon;F), so that the peaks indicate when the Fermi level &epsilon;F crosses a Landau level. Therefore, a density-B-field diagram n2D-B of the &rho;xx ~ g(&epsilon;F) peaks shows a topological map of the electronic structure of the system. In two-subband systems, &rho;xx( n2D, B) shows ringlike structures due to crossings of spin-split Landau levels from distinct subbands [experiments from the group of Prof. Jiang (UCLA)] that could lead to ferromagnetic instabilities. We study these instabilities using the density functional theory (DFT) to calculate the electronic structure, and Ando\'s model (Kubo formalism) for &rho;xx and &rho;xy. At higher temperatures (340 mK) we also obtain the ringlike structures in &rho;xx. At lower temperatures (70 mK) we see broken rings due to quantum Hall ferromagnetic phase transitions. Tilting B by theta with respect to the 2DEG normal we find that the ring structure shrinks. Our results show that the angle of full collapse depends on a competition between the exchange term from the Coulomb interaction (Pauli principle) and the anticrossing of Landau levels due to the finite angle theta. Additionally, at the instabilities we observe hysteresis. Sweeping the B field up or down near these regions we obtain two different solutions with distinct total energies, corresponding to the ground state and an excited state of the many-body system. This result, together with previous results of our group [Freire & Egues (2007)], are the first realizations of the theoretical prediction of the possibility of excited states as local minima of the ground state energy functional [Perdew & Levy (1985)]. The model proposed here shows an excellent agreement with the experiments. Additionally, the systematic and experimentally verified observation of excited states corroborates the predictions of Perdew & Levy. Similar ideas as presented here when applied to the electronic structure and conductance of quantum wires with an in-plane magnetic field show ferromagnetic instabilities at crossings of the wire transverse modes [Master Thesis of Filipe Sammarco, IFSC/USP], also with excellent experimental agreement. This strengthen the range of validity of the model proposed in this Thesis.

Neste trabalho, nossa principal motivação foi o entendimento da dinâmica de pacotes de onda em isolantes topológicos 2D. Como excitações de carga se movem nesses materiais? De que maneira essas trajetórias dependem das condições iniciais, e de que forma as condições de contorno influenciam nessa dinâmica? Essas foram algumas das perguntas que guiaram nosso trabalho. Através de simulações computacionais, estudamos o movimento de pacotes de onda gaussianos em poços quânticos de HgTe/CdTe. O comportamento de isolante topológico para essa heteroestrutura foi prevista teoricamente no importante trabalho de Bernevig et al. (Science, vol. 314, no. 5806, 2006) e confirmada experimentalmente por König et al. (Science, vol. 318, no. 5851, 2007). Estudando-se a evolução temporal desse sistema, foi possível observar trajetórias que dependem de forma evidente, não apenas da orientação de spin, mas também da orientação de um pseudo-spin proveniente do modelo BHZ. Em sistemas com condições de contorno periódicas em ambas as dimensões e sem a aplicação de campos externos, foram observadas trajetórias com formato de espiral, acompanhadas por um \"side-jump\" dependente da direção do spin e do pseudo-spin. Em especial, para o caso em que o pseudo-spin está inicialmente orientado na direção-z, as trajetórias espiraladas foram subtituidas por um padrão do tipo \"zitterbewegung\" dependente de um potencial de \"bias\". Para sistemas confinados com bordas impenetráveis, observou-se a formação de estados de borda helicais característicos de isolantes topológicos. / In this work, our main motivation was the understanding about the dynamics of wave packets in 2D topological insulators. How charge excitations move throughout theses materials? In what way their trajectories depend on the initial conditions, and how boundary conditions change this dynamics? These were some of the questions that have guided us in our work. Using numerical simulations, we have studied the movement of gaussian wave packets in HgTe/CdTe quantum wells. The topological insulator behavior for this heterostructure was theoretically predicted on the important work conducted in 2006 by Bernevig et al. (Science, vol. 314, n. 5806, 2006), and experimentally confirmed by König et al. (Science, vol. 318, no. 5851, 2007) a year later. Studing the time evolution of this system, was possible to observe trajectories that depend evidently, not only from the spin projection, but also from the pseudospin orientation coming from the BHZ model. From simulations with periodic boundary conditions in both of the two dimensions, and without the application of any external fields, we observed spiral trajectories accompanied by a spin and pseudospin dependent side-jump. Especially, for the case in which the pseudospin was iniatially oriented in \"z\" direction, the spiral trajectories were replaced by a pattern of the type \"zitterbewegung\" dependent of a bias potential. For the confined systems with barriers of hardwall type, was observed the formation of helical edge states, that is the fingerprint of topological insulators.

O efeito Hall quântico surge em gases de elétrons bidimensionais (2DEG) na presença de altos campos magnéticos B. O campo magnético quantiza o movimento planar dos elétrons em órbitas ciclotrônicas caracterizadas pelos níveis de Landau. Neste regime a resistividade transversal (ou Hall) &rho;xy em função de B exibe platôs em submúltiplos inteiros de e2/h, i.e., &rho;xy = &nu;-1 e2/h, sendo &nu; o fator de preenchimento dos níveis de Landau. Por sua vez, a resistividade longitudinal &rho;xx apresenta picos nas transições entre platôs de &rho;xy. Em primeira instância, &rho;xx é uma medida indireta da densidade de estados no nível de Fermi g(&epsilon;F), e os picos dos mesmos indicam cruzamentos do nível de Fermi &epsilon;F com niveis de Landau. Assim, o diagrama de densidade de elétrons n2D e B dos picos de &rho;xx ~ g(&epsilon;F) fornece um mapa topológico da estrutura eletrônica do sistema. Em sistemas de duas subbandas, &rho;xx(n2D, B) exibe estruturas em forma de anel devido a cruzamentos de níveis de Landau de subbandas distintas [experimentos do grupo do Prof. Jiang (UCLA)]. Estes cruzamentos podem ainda levar a instabilidades ferromagnéticas. Investigamos estas instabilidades usando a teoria do funcional da densidade (DFT) para o cálculo da estrutura eletrônica, e o modelo de Ando (formalismo de Kubo) para o cálculo de &rho;xx e &rho;xy. Para temperaturas mais altas (340 mK) obtemos as estruturas em forma de anel em &rho;xx. Para temperaturas mais baixas (70 mK), observamos uma quebra dos anéis devido a transições de fase ferromagnéticas. Variando-se o ângulo &theta; de B com relação ao 2DEG observa-se o encolhimento do anel. Nossos resultados mostram que o ângulo de colapso total do anel depende de uma competição entre o termo de troca da interação de Coulomb (princípio de Pauli) e cruzamentos evitados devido ao ângulo &theta; finito. As transições de fase exibem ainda o fenômeno de histerese. Na região de instabilidade ferromagnética obtemos diferentes soluções variando B de forma crescente ou decrescente. Estas soluções possuem energias total diferentes, de forma que representam estados fundamental e excitado de muitos corpos. Esta observação, juntamente com resultados anteriores do grupo [Freire & Egues (2007)], representam as primeiras realizações teóricas da previsão da possibilidade de estados excitados como mínimos locais do funcional de energia do estado fundamental [Perdew & Levy (1985)]. O modelo aqui proposto fornece excelente acordo com os experimentos considerados. Adicionalmente, a observação sistemática e experimentalmente verificada dos estados excitados valida as previsões de Perdew & Levy. Aplicamos ainda estas mesmas ideias no cálculo da estrutura eletrônica e condutância de fios quânticos na presença de campos magnéticos, mostrando que cruzamentos de modos transversais também exibem instabilidades ferromagnéticas observadas em experimentos recentes [Dissertação de Mestrado de Filipe Sammarco, IFSC/USP], fortalecendo a validade do modelo apresentado nesta tese. / The quantum Hall effect arises in two dimensional electron gases (2DEG) under high magnetic fields B. The magnetic field quantizes the planar motion of the electrons into cyclotron orbits given by the Landau levels. In this regime the transversal (Hall) resistivity &rho;xy shows plateaus as a function of B at integer sub-multiples of e2/h, i.e., &rho;xy = &nu;-1 e2/h, where n is the filling factor of the Landau levels. The longitudinal resistivity &rho;xx shows peaks at the transition between the plateaus of &rho;xy. In principle, &rho;xx is an indirect measure of the density of states at the Fermi level g(&epsilon;F), so that the peaks indicate when the Fermi level &epsilon;F crosses a Landau level. Therefore, a density-B-field diagram n2D-B of the &rho;xx ~ g(&epsilon;F) peaks shows a topological map of the electronic structure of the system. In two-subband systems, &rho;xx( n2D, B) shows ringlike structures due to crossings of spin-split Landau levels from distinct subbands [experiments from the group of Prof. Jiang (UCLA)] that could lead to ferromagnetic instabilities. We study these instabilities using the density functional theory (DFT) to calculate the electronic structure, and Ando\'s model (Kubo formalism) for &rho;xx and &rho;xy. At higher temperatures (340 mK) we also obtain the ringlike structures in &rho;xx. At lower temperatures (70 mK) we see broken rings due to quantum Hall ferromagnetic phase transitions. Tilting B by theta with respect to the 2DEG normal we find that the ring structure shrinks. Our results show that the angle of full collapse depends on a competition between the exchange term from the Coulomb interaction (Pauli principle) and the anticrossing of Landau levels due to the finite angle theta. Additionally, at the instabilities we observe hysteresis. Sweeping the B field up or down near these regions we obtain two different solutions with distinct total energies, corresponding to the ground state and an excited state of the many-body system. This result, together with previous results of our group [Freire & Egues (2007)], are the first realizations of the theoretical prediction of the possibility of excited states as local minima of the ground state energy functional [Perdew & Levy (1985)]. The model proposed here shows an excellent agreement with the experiments. Additionally, the systematic and experimentally verified observation of excited states corroborates the predictions of Perdew & Levy. Similar ideas as presented here when applied to the electronic structure and conductance of quantum wires with an in-plane magnetic field show ferromagnetic instabilities at crossings of the wire transverse modes [Master Thesis of Filipe Sammarco, IFSC/USP], also with excellent experimental agreement. This strengthen the range of validity of the model proposed in this Thesis.