In this work we investigate some aspects of the physics of strongly correlated systems by taking into account both electron-electron and electron-phonon interactions as basic mechanisms for reproducing electronic correlations in real materials. The relevance of the electron-electron interactions is discussed in the first part of this thesis in the framework of a self-consistent theoretical approach, named Composite Operator Method (COM), which accounts for the relevant quasi-particle excitations in terms of a set of composite operators that appear as a result of the modification imposed by the interactions on the canonical electronic fields. We show that the COM allows the calculation of all the relevant Green s and correlation functions in terms of a number of unknown internal parameters to be determined self-consistently. Therefore, depending on the balance between unknown parameters and self-consistent equations, exact and approximate solutions can be obtained. By way of example, we discuss the application of the COM to the extended t-U-J-h model in the atomic limit, and to the two-dimensional single-band Hubbard model. In the former case, we show that the COM provides the exact solution of the model in one dimension. We study the effects of electronic correlations as responsible for the formation of a plethora of different charge and/or spin orderings. We report the phase diagram of the model, as well as a detailed analysis of both zero and finite temperature single-particle and thermodynamic properties. As far as the single-band Hubbard model is concerned, we illustrate an approximated self-consistent scheme based on the choice of a two-field basis. We report a detailed analysis of many unconventional features that arise in single-particle properties, thermodynamics and system's response functions. We emphasize that the accuracy of the COM in describing the effects of electronic correlations strongly relies on the choice of the basis, paving the way for possible multi-pole extensions to the two-field theory. To this purpose, we also study a three-field approach to the single-band Hubbard model, showing a significant step forward in the agreements with numerical data with respect to the two-pole results. The role of the electron-phonon interaction in the physics of strongly correlated systems is discussed in the second part of this thesis. We show that in highly polarizable lattices the competition between unscreened Coulomb and Fröhlich interactions results in a short-range polaronic exchange term Jp that favours the formation of local and light pairs of bosonic nature, named bipolarons, which condense with a critical temperature well in excess of hundred kelvins. These findings, discussed in the framework of the so-called polaronic t-Jp model, are further investigated in the presence of a finite on-site potential U, coming from the competition between on-site Coulomb and Fröhlich interactions. We discuss the role of U as the driving parameter for a small-to-large bipolaron transition, providing a possible explanation of the BEC-BCS crossover in terms of the properties of the bipolaronic ground state. Finally, we show that a hard-core bipolarons gas, studied as a charged Bose-Fermi mixture, allows for the description of many non Fermi liquid behaviours, allowing also for a microscopic explanation of pseudogap features in terms of a thermal-induced recombination of polarons and bipolarons, without any assumption on preexisting order or broken symmetries.

Le graphène est une nanostructure de carbone hybridé sp2 dont les propriétés électroniques et optiques en font un matériau novateur avec un très large potentiel d’application. Cependant, la production à large échelle de ce matériau reste encore un défi et de nombreuses propriétés physiques et chimiques doivent être étudiées plus en profondeur pour mieux les exploiter. La fonctionnalisation covalente est une réaction chimique qui a un impact important dans l’étude de ces propriétés, car celle-ci a pour conséquence une perte de la structure cristalline des carbones sp2. Néanmoins, la réaction a été très peu explorée pour ce qui est du graphène déposé sur des surfaces, car la réactivité chimique de ce dernier est grandement dépendante de l’environnement chimique. Il est donc important d’étudier la fonctionnalisation de ce type de graphène pour bien comprendre à la fois la réactivité chimique et la modification des propriétés électroniques et optiques pour pouvoir exploiter les retombées. D’un autre côté, les bicouches de graphène sont connues pour avoir des propriétés très différentes comparées à la monocouche à cause d’un empilement des structures électroniques, mais la croissance contrôlée de ceux-ci est encore très difficile, car la cinétique de croissance n’est pas encore maîtrisée. Ainsi, ce mémoire de maîtrise va porter sur l’étude de la réactivité chimique du graphène à la fonctionnalisation covalente et de l’étude des propriétés optiques du graphène. Dans un premier temps, nous avons effectué des croissances de graphène en utilisant la technique de dépôt chimique en phase vapeur. Après avoir réussi à obtenir du graphène monocouche, nous faisons varier les paramètres de croissance et nous nous rendons compte que les bicouches apparaissent lorsque le gaz carboné nécessaire à la croissance reste présent durant l’étape de refroidissement. À partir de cette observation, nous proposons un modèle cinétique de croissance des bicouches. Ensuite, nous effectuons une étude approfondie de la fonctionnalisation du graphène monocouche et bicouche. Tout d’abord, nous démontrons qu’il y a une interaction avec le substrat qui inhibe grandement le greffage covalent sur la surface du graphène. Cet effet peut cependant être contré de plusieurs façons différentes : 1) en dopant chimiquement le graphène avec des molécules réductrices, il est possible de modifier le potentiel électrochimique afin de favoriser la réaction; 2) en utilisant un substrat affectant peu les propriétés électroniques du graphène; 3) en utilisant la méthode d’électrogreffage avec une cellule électrochimique, car elle permet une modulation contrôlée du potentiel électrochimique du graphène. De plus, nous nous rendons compte que la réactivité chimique des bicouches est moindre dû à la rigidité de structure due à l’interaction entre les couches. En dernier lieu, nous démontrons la pertinence de la spectroscopie infrarouge pour étudier l’effet de la fonctionnalisation et l’effet des bicouches sur les propriétés optiques du graphène. Nous réussissons à observer des bandes du graphène bicouche dans la région du moyen infrarouge qui dépendent du dopage. Normalement interdites selon les règles de sélection pour la monocouche, ces bandes apparaissent néanmoins lorsque fonctionnalisée et changent grandement en amplitude dépendamment des niveaux de dopage et de fonctionnalisation. / Graphene is a sp2 hybridized carbon nanostructure with incredible electronical and optical properties that make it interesting for various applications. Its large scale production is still a challenge and there is still some physical and chemical properties that need further studies to better exploit them. Covalent functionalization is a chemical reaction that can be used as a tool to study those properties because it breaks the sp2 crystalline structure, so it modulates the properties of graphene. There are not many studies of that reaction on graphene deposited on a surface because the chemical reactivity depends greatly on the chemical environment. That is why it is important to study the functionalization of graphene on surfaces to understand chemical reactivity and the modification of electronical and optical properties in order to potentially exploit the benefits. This master thesis is focusing on the chemical reactivity of graphene to covalent functionalization and the study of its optical properties. First, we grow graphene using the chemical vapour deposition method. After the growth of monolayer, we change the parameters and we observe the formation of bilayers if the carbonated gas is present during the cooling step of the growth. From that observation, we propose a kinetic model of bilayer growth. Then we proceed to a detailed study of monolayer and bilayer graphene functionalization. First, we demonstrate that there is a substrate effect that inhibits greatly the grafting of organic molecules on the graphene surface. However it is possible to overcome this substrate effect by different ways: 1) chemical doping of the graphene with reducing molecules can modify the electrochemical potential to enhance the reaction; 2) transferring graphene on a substrate that doesn’t affect the electronical properties of graphene; 3) the use of an electrografting method with an electrochemical cell can also modulate the potential so the efficiency of the reaction is enhanced. Also, we observe that the chemical reactivity of bilayer graphene is lower compared to the monolayer because of structural rigidity caused by interlayer interaction. Finally, we demonstrate that the infrared spectroscopy is a powerful tool to study the effect of functionalization and the effect of bilayers on the optical properties of graphene. We observe some bands in the region of the mid-IR, while the infrared selection rules don’t predict any. Also, the shape of those bands change greatly depending on the doping level when there is bilayers or when the graphene is functionalized.

Nós calculamos o efeito da interação elétron-fonons longitudinais óticos (LO) sobre a energia de transição ls &#8594 2p+ entre os níveis de uma impureza doadora, localizada em um poço quântico de GaAs-AlxGa1-xAs. Nossos resultados para a energia de transição em função do campo magnético aplicado mostram claramente, que a saturação da energia de transição (efeito pinning) ocorre na energia dos fônons LO, em boa concordância com recentes dados experimentais. Obtemos também a massa de cíclotron de polarons confinados em fios quânticos quase-unidimensionais, com potencial de confinamento parabólico. Observamos que o comportamento da massa é diferente daquele para sistemas bi-dimensionais e que esta diferença é maior quanto maior o potencial de confinamento. Para a heterojunção de GaAs-AlGaAs e GaAs-GaSb, investigamos a importância da interação elétron-fonons interfaciais sobre a massa de cíclotron. Verificamos que a contribuição dos fonons interfaciais é fundamental nas regiões próximas às resonâncias, onde domina o espectro. Finalmente, calculamos a energia de ligação de uma impureza hidrogenóide, localizada no centro de um ponto quântico circular de GaAs-AlGaAs. Na ausência de campo magnético aplicado, obtivemos uma expressão analítica para a função de onda do elétron ligado. Notamos, que a influência do campo magnético sobre a energia de ligação é fraca nas regiões de pequenos raios, devido ao forte potencial de confinamento. / We calculate the effects of the electron-longitudinal optical (LO) phonons interaction on the intra donor ls &#8594 2p+ transition energy in GaAs-AlGaAs quantum wells structures. Our results to the transition energy as a function of the magnetic Field strength, show that the pinning effect occur in the phonon LO energy in good agreement with recent experimental data. The cyclotron mass of polarons confined in quasi.one.dimensional quantum-well wires with parabolic confinement potential, is also obtained. The behavior of electrons effective mass with magnetic field is different, of the two-dimensional systems, and the difference increase when the confinement potential increase. To heterojunctions of GaAs-AlAs and GaAs-GaSb, we investigate the electroninterfacials optical (IO) phonons interactions on the effective cyclotron mass. We find that the electron-IO-phonons interaction is fundamental near the resonances, where they dominate the spectra. Finally, the ground state binding energy of donor impurity, placed in the center of a circular quantum dot is calculated. Without magnetic field, we obtained the analytic expression to the bound electron wave function. The influence of the magnetic field on the donor binding energy is weaker, when the radius of the quantum dot became smaller.

Nós calculamos o efeito da interação elétron-fonons longitudinais óticos (LO) sobre a energia de transição ls &#8594 2p+ entre os níveis de uma impureza doadora, localizada em um poço quântico de GaAs-AlxGa1-xAs. Nossos resultados para a energia de transição em função do campo magnético aplicado mostram claramente, que a saturação da energia de transição (efeito pinning) ocorre na energia dos fônons LO, em boa concordância com recentes dados experimentais. Obtemos também a massa de cíclotron de polarons confinados em fios quânticos quase-unidimensionais, com potencial de confinamento parabólico. Observamos que o comportamento da massa é diferente daquele para sistemas bi-dimensionais e que esta diferença é maior quanto maior o potencial de confinamento. Para a heterojunção de GaAs-AlGaAs e GaAs-GaSb, investigamos a importância da interação elétron-fonons interfaciais sobre a massa de cíclotron. Verificamos que a contribuição dos fonons interfaciais é fundamental nas regiões próximas às resonâncias, onde domina o espectro. Finalmente, calculamos a energia de ligação de uma impureza hidrogenóide, localizada no centro de um ponto quântico circular de GaAs-AlGaAs. Na ausência de campo magnético aplicado, obtivemos uma expressão analítica para a função de onda do elétron ligado. Notamos, que a influência do campo magnético sobre a energia de ligação é fraca nas regiões de pequenos raios, devido ao forte potencial de confinamento. / We calculate the effects of the electron-longitudinal optical (LO) phonons interaction on the intra donor ls &#8594 2p+ transition energy in GaAs-AlGaAs quantum wells structures. Our results to the transition energy as a function of the magnetic Field strength, show that the pinning effect occur in the phonon LO energy in good agreement with recent experimental data. The cyclotron mass of polarons confined in quasi.one.dimensional quantum-well wires with parabolic confinement potential, is also obtained. The behavior of electrons effective mass with magnetic field is different, of the two-dimensional systems, and the difference increase when the confinement potential increase. To heterojunctions of GaAs-AlAs and GaAs-GaSb, we investigate the electroninterfacials optical (IO) phonons interactions on the effective cyclotron mass. We find that the electron-IO-phonons interaction is fundamental near the resonances, where they dominate the spectra. Finally, the ground state binding energy of donor impurity, placed in the center of a circular quantum dot is calculated. Without magnetic field, we obtained the analytic expression to the bound electron wave function. The influence of the magnetic field on the donor binding energy is weaker, when the radius of the quantum dot became smaller.

Ce travail a porté sur l’étude expérimentale de la dynamique électronique et vibrationnelle de nano-objets métalliques et hybrides par spectroscopie pompe-sonde femtoseconde. L’étude de la dynamique des échanges d’énergie électrons-réseau dans des systèmes métalliques bidimensionnels nous a permis de mettre en évidence une accélération du transfert d’énergie entre électrons et phonons due au confinement. Cette accélération est gouvernée par la plus petite dimension des nano-objets étudiés (nano-triangles d’argent 2D) lorsque celle-ci devient inférieure à environ 10 nm. Nous avons aussi étudié la dynamique vibrationnelle de nanoparticules métalliques, bimétalliques et métal diélectrique. Nous nous sommes intéressés aux modes de vibration longitudinaux et radiaux de bipyramides d’or en fonction de leurs dimensions, et à leurs évolutions consécutives à un dépôt d’argent. Une forte sensibilité des périodes et des amplitudes de vibration à de faibles dépôts a été mise en évidence. L’étude de l’évolution des modes de vibration de nano-objets de type coeur-coquille (argent-silice et or-silice) nous a permis d’obtenir des informations sur la qualité du contact mécanique à l’interface métal-diélectrique. Enfin, nous avons étudié les interactions électroniques dans des nano-systèmes hybrides métal/semi-conducteur (ZnO-Ag), et plus particulièrement les transferts de charge et les échanges d’énergie entre les deux composants.Nous avons montré la forte influence de l’environnement sur la dynamique électronique du ZnO et mis en évidence un transfert d’électron, photo-induit par une impulsion infrarouge, de la particule métallique vers la bande de conduction du semi-conducteur. / Electronic and vibrational dynamics have been studied in metallic and hybrid nano-object using femtosecond timeresolved spectroscopy. The study of electron-lattice energy exchanges in two-dimensional metallic systems showed an acceleration of the energy transfer between electrons and phonons due to confinement. This acceleration is governed by the smallest dimension of the nano-objects (2D-silver nano triangles ) when it becomes smaller than 10 nm. We also studied the vibrational dynamics of metallic nanoparticles, bimetallic and metal-dielectric. We investigated the longitudinal and radial modes of vibration of gold bipyramids which depend on their size, and studied their evolution under silver deposition. A high sensitivity of periods and amplitudes for small deposition were demonstrated. Our work on the evolution of acoustic vibrations of core-shell nano-objects (silver-silica and goldsilica) allowed us to obtain information on the quality of mechanical contact at the metal-dielectric interface. Finally, we studied the electronic interactions in hybrid metal / semiconductor (ZnO-Ag) nano-systems, and especially the charge transfer and energy exchanges between the two components. We showed a strong influence of the environment on the electron dynamics of ZnO and proved the existence of an electron transfer, photoinduced by an infrared pulse, from the metal particle to the semiconductor conduction band.

Materialien mit einer geringen, aber endlichen Zahl an beweglichen Ladungsträgern bieten eine interessante Plattform für die experimentelle Erforschung von niederenergetischen elektronischen Anregungen. Derartige Halbmetalle und Halbleiter mit geringer Bandlücke zeigen starke Effekte in Magnetfeldern, wie z. B. Quantenoszillationen und Magnetwiderstandseffekte, welche ein hilfreiches Werkzeug zur Untersuchung der elektronischen Eigenschaften darstellen. In Kombination mit verschiedenen experimentellen Techniken wie elektrischen und thermischen Transportmessungen, der Anwendung uniaxialer Spannung, und Ultraschallmessungen, kann man umfassende Informationen über die Wechselwirkungen und Symmetriebeziehungen in solch einem Material gewinnen. In letzter Zeit sind vor allem die topologischen Eigenschaften der elektronischen Bänder in den Fokus der Festkörperphysik gerückt, deren Beitrag zu den Transporteigenschaften insbesondere in Halbmetallen und Halbleitern mit geringer Bandlücke zu klären ist. In der vorliegenden Dissertation wurden drei solcher Materialien hinsichtlich ihrer außergewöhnlichen elektronischen Eigenschaften untersucht. In NbP, einem Halbmetall mit komplex geformter, anisotroper Fermi-Fläche, welche aus mehreren räumlich entarteten Taschen besteht, wurden die Effekte der Gitterdeformation untersucht. Die Anwendung uniaxialer Spannung führt zur Brechung der Kristallsymmetrie und damit zur Aufhebung der räumlichen Entartung der Fermi-Taschen, was mittels Analyse der Shubnikov-de Haas-Oszillationen im Magnetwiderstand nachgewiesen werden konnte. Weiterhin konnte durch Messung der im Ultraschall auftretenden Quantenoszillationen eine genaue Untersuchung der Anisotropie der Elektron-Phonon-Wechselwirkung durchgeführt werden. ZrTe5 ist ein aus zweidimensionalen Schichten bestehender Halbleiter mit geringer Bandlücke, welcher kürzlich aufgrund seiner besonderen Niedrigtemperatur-Magnetotransporteigenschaften größere Aufmerksamkeit erfahren hat. So weist ZrTe5 plateau-ähnliche Features im Hall-Widerstand, sowie einen ungewöhnlichen Magnet- und Hall-Widerstand im Quanten-Limit auf. Im Rahmen dieser Arbeit wurde der Effekt uniaxialer Spannung auf diese Transportphänomene untersucht, was dazu beitragen kann, deren bislang umstrittene Ursache aufzuklären. Schließlich wurden die elektrischen und thermischen Magnetotransporteigenschaften von GdPtBi untersucht, einem Halbleiter mit geschlossener Bandlücke, welcher sich durch das Vorliegen starker, lokalisierter magnetischer Momente ausgehend von den 4f-Elektronen des Gd auszeichnet. Es konnte gezeigt werden, dass das Auftreten von Anomalien im elektrischen Magnetotransport, welche ursprünglich den topologischen Eigenschaften der im Magnetfeld gekreuzten elektronischen Bänder zugeschrieben wurden, auch durch magnetische Wechselwirkungen zu erklären ist. Desweiteren konnte durch die Messung magnetfeldabhängiger thermischer Transporteigenschaften das Auftreten von Wechselwirkungen zwischen Phononen und magnetischen Momenten, sowie möglicherweise auch magnetischen Spinwellen, nachgewiesen werden. / Materials with a low, but finite density of charge carriers offer an interesting experimental platform for the investigation of electronic low-energy excitations. Such semimetals and narrow-gap semiconductors exhibit large magnetic-field responses, e.g., quantum oscillations (QOs) and magnetoresistance (MR) effects, that can be used as a powerful tool to study the electronic properties. In combination with experimental techniques such as electrical- and thermal-transport measurements, uniaxial-stress application, and measurement of the ultrasound velocity, a lot can be learned about the interactions and symmetry dependences in the materials. Recently, the topological properties of electronic bands became an important research field in condensed matter physics. Especially in semimetals and narrow-gap semiconductors, it is to be clarified to what extent exotic transport phenomena are related to topological effects. In this thesis, three such materials with intriguing electronic properties have been investigated. In NbP, a semimetal with a complex, anisotropic Fermi surface, consisting of spatially degenerate pockets whose degeneracy is tied to the symmetry of the crystal lattice, the effects of lattice deformation have been studied. Application of uniaxial stress breaks the crystalline symmetries and, thereby, lifts the degeneracy of the Fermi-surface pockets, which could be traced via analyzing Shubnikov-de Haas oscillations in the MR. Furthermore, the measurement of QOs in the ultrasound allowed for a detailed analysis of the anisotropy of the electron-phonon interaction in NbP. ZrTe5 is a layered narrow-gap semiconductor that recently attracted a lot of attention due to its remarkable low-temperature magnetotransport, namely plateau-like features in the Hall resistance as well as unconventionalMRand Hall resistance in the quantum limit. Here, the uniaxial-stress response of those features was investigated as a contribution to clarify their origin, which, to date, remains under discussion. Lastly, the electrical and thermal magnetotransport properties of GdPtBi were studied. GdPtBi is a zero-gap semiconductor that features the presence of large localized magnetic moments stemming from Gd’s 4 𝑓 -electron shell. The occurrence of anomalous features in the electrical MR was previously attributed to the topological properties of magnetic-field induced crossings of the electronic bands. However, in the course of this thesis it could be shown that those features can also be explained by magnetic interactions. Further, the presence of interactions between phonons and magnetic moments, and potentially also between phonons and magnetic spin waves, was demonstrated via measurement of a magnetic-field-dependent thermal resistance.

The thermal conductivity and electrical resistivity of Zr, ZrC, and ZrN were calculated using first-principles density functional theory (DFT) and the Boltzmann transport equation. The electron-phonon scattering was modeled via the self-energy relaxation time approximation (SERTA), and the phonon-phonon scattering via the analogous single-mode relaxation time approximation (SMRTA). The results obtained from Abinit's electron-phonon coupling code EPH is in good agreement with experimental reference data for Zr and ZrN. Notably, the calculated electrical resistivity of ZrC was found to be significantly lower than the available reference data, likely due to deviations from a perfect Zr/C stoichiometric ratio in the experimental samples. Additionally, it was observed that the calculated lattice thermal conductivity was overestimated at low temperatures, possibly attributed to the neglect of electron-phonon scattering that otherwise appears in metallic systems. / Värmeledningsförmågan och den elektriska resistiviteten för Zr, ZrC och ZrN beräknades med hjälp av täthetsfunktionalteori (DFT) och Boltzmanns transportekvation. Elektron-fononspridningen modellerades via 'self-energy relaxation time approximation' (SERTA), och fonon-fononspridningen via den motsvarande 'single-mode relaxation time approximation' (SMRTA). Resultaten från Abinits elektron-fononkopplingskod EPH stämmer väl överens med experimentella referensdata för Zr och ZrN. Den beräknade elektriska resistiviteten för ZrC visade sig emellertid vara betydligt lägre än all tillgänglig referensdata, troligtvis på grund av avvikelser från ett perfekt Zr/C-stökiometriskt förhållande i de experimentella proverna. Dessutom observerades att det beräknade fononbidraget till värmeledningsförmågan överskattades vid låga temperaturer, vilket möjligen beror på försummelsen av elektron-fononspridning som annars framträder i metalliska system.

Depuis que les dimensions des nano-dispositifs ont atteint l’échelle nanométrique, la simulation quantique est devenue incontournable dans le domaine de la nanoélectronique. Parmi les différents phénomènes physiques, l’interaction électron-phonon représente un processus majeur limitant la mobilité des porteurs de charge à température ambiante. En combinant la théorie multibandes k.p avec le formalisme quantique des fonctions de Green hors-équilibre, nous avons étudié et comparé deux types de dispositifs double-grille dopés p: le transistor MOS «conventionnel» et celui dit «sans jonction». L’influence de l’orientation cristalline, du matériau semi-conducteur, de la longueur de grille et de l’épaisseur du substrat a été étudiée afin d’optimiser les performances de ces dispositifs aux dimensions ultimes. D’un point de vue plus fondamental, l’interaction avec les phonons est habituellement implémentée à partir de l’approche auto-cohérente de Born (SCBA). Nous avons exploré la validité des approches non auto-cohérentes numériquement moins coûteuse qui conservent le courant : Lowest Order Approximation (LOA). Une comparaison entre SCBA, LOA et son prolongement analytique (LOA+AC) en modèle multi-bande a été menée. / Device simulation has attracted large interest since the dimensions of electronic devices reached the nanoscale. Among the new physical phenomena observed we focus on interaction-induced effects. Particular emphasis is placed on electron-phonon interactions as it is one of the most important carrier mobility-limiting mechanisms in nanodevices. Using the k.p multiband theory combined with the Non-Equilibrium Green's Function formalism, we model 2 types of double-gate devices: p-type MOSFETs and junctionless p-type MOSFETs. The 2D architecture of the double-gate device enables us to investigate the influence of confinement in one direction, infinite propagation in the other direction and connection to semi-infinite reservoirs in the last one. Different crystallographic orientation, channel materials, gate lengths and channel widths are investigated. From a fundamental point of view, phonon scattering is usually implement via the so-called Self-Consistent Born Approximation (SCBA°. We explore the validity of a one shot current conserving method based on the Lowest Order Approximation (LOA). A comparison between SCBA, LOA and its analytic continuation (LOA+AC) in multiband models is discussed.

The generation and propagation of pulses of nonequilibrium acoustic phonons and their interaction with semiconductor nanostructures are investigated. Such studies can give unique information about the properties of low-dimensional electron systems, but in order to interpret the experiments and to understand the underlying physics, a comparison with theoretical models is absolutely necessary. A central point of this work is therefore a universal theoretical approach allowing the simulation and the analysis of phonon spectroscopy measurements on low-dimensional semiconductor structures. The model takes into account the characteristic properties of the considered systems. These properties are the elastic anisotropy of the substrate material leading to focusing effects and highly anisotropic phonon propagation, the anisotropic nature of the different electron-phonon coupling mechanisms, which depend manifestly on phonon wavevector direction and polarization vector, and the sensitivity to the confinement parameters of the low-dimensional electron systems. We show that screening of the electron-phonon interaction can have a much stronger influence on the results of angle-resolved phonon spectroscopy than expected from transport measurements. Since we compare theoretical simulations with real experiments, the geometrical arrangement and the spatial extension of phonon source and detector are also included in the approach enabling a quantitative analysis of the data this way. To illustrate the influence of acoustic anisotropy and carrier confinement on the results of phonon spectroscopy in detail we analyse two different applications. In the first case the low-dimensional electron system acts as the phonon detector and the phonon induced drag current is measured. Our theoretical model enables us to calculate the electric current induced in low-dimensional electron systems by pulses of (ballistic) nonequilibrium phonons. The theoretical drag patterns reproduce the main features of the experimental images very well. The sensitivity of the results to variations of the confining potential of quasi-2D and quasi-1D electrons is demonstrated. This provides the opportunity to use phonon-drag imaging as unique experimental tool for determining the confinement lengths of low-dimensional electron systems. By comparing the experimental and theoretical images it is also possible to estimate the relative strength of the different electron-phonon coupling mechanisms.In the second application the low-dimensional electron system acts as the phonon pulse source and the angle and mode dependence of the acoustic phonon emission by hot 2D electrons is investigated. The results exhibit strong variations in the phonon signal as a function of the detector position and depend markedly on the coupling mechanism, the phonon polarization and the electron confinement width. We demonstrate that the ratio of the strengths of the emitted longitudinal (LA) and transverse (TA) acoustic phonon modes is predicted correctly only by a theoretical model that properly includes the effects of acoustic anisotropy on the electron-phonon matrix elements, the screening, and the form of the confining potential. A simple adoption of widely used theoretical assumptions, like the isotropic approximation for the phonons in the electron-phonon matrix elements or the use of simple variational envelope wavefunctions for the carrier confinement, can corrupt or even falsify theoretical predictions.We explain the `mystery of the missing longitudinal mode' in heat-pulse experiments with hot 2D electrons in GaAs/AlGaAs heterojunctions. We demonstrate that screening prevents a strong peak in the phonon emission of deformation potential coupled LA phonons in a direction nearly normal to the 2D electron system and that deformation potential coupled TA phonons give a significant contribution to the phonon signal in certain emission directions. / Die vorliegende Arbeit beschäftigt sich mit der Ausbreitung von akustischen Nichtgleichgewichtsphononen und deren Wechselwirkung mit Halbleiter-Nanostrukturen. Güte und Effizienz moderner Halbleiter-Bauelemente hängen wesentlich vom Verständnis der Wechselwirkung akustischer Phononen mit niederdimensionalen Elektronensystemen ab. Traditionelle Untersuchungsmethoden, wie die Messung der elektrischen Leitfähigkeit oder der Thermospannung, erlauben nur eingeschränkte Aussagen. Sie mitteln über die beteiligten Phononenmoden und eine Trennung der einzelnen Wechselwirkungsmechanismen ist nur näherungsweise möglich ist. Demgegenüber erlaubt die in der Arbeit diskutierte Methode der winkel- und zeitaufgelösten Phononen-Spektroskopie ein direktes Studium des Beitrags einzelner Phononenmoden, d.h. in Abhängigkeit von Wellenzahlvektor und Polarisation der Phononen. Im Mittelpunkt der Arbeit steht die Fragestellung, wie akustische Anisotropie und Ladungsträger-Confinement die Ergebnisse der winkel- und zeitaufgelösten Phononen-Spektroskopie beeinflussen und prägen. Dazu wird ein umfassendes theoretisches Modell zur Simulation von Phononen-Spektroskopie-Experimenten an niederdimensionalen Halbleitersystemen vorgestellt. Dieses erlaubt sowohl ein qualitatives Verständnis der ablaufenden physikalischen Prozesse als auch eine quantitative Analyse der Messergebnisse. Die Vorteile gegenüber anderen Modellen und Rechnungen liegen dabei in dem konsequenten Einbeziehen der akustischen Anisotropie, nicht nur für die Ausbreitung der Phononen, sondern auch für die Matrixelemente der Wechselwirkung, sowie eine saubere Behandlung des Confinements der Elektronen in den niederdimensionalen Systemen. Dabei werden die Grenzen weit verbreiteter Näherungsansätze für die Elektron-Phonon-Matrixelemente und das Elektronen-Confinement deutlich aufgezeigt. Für den quantitativen Vergleich mit realen Experimenten werden aber auch solche Größen, wie die endliche räumliche Ausdehnung von Phononenquelle und Detektor, die Streuung der Phononen an Verunreinigungen oder die Abschirmung der Elektron-Phonon-Kopplung durch die Elektron-Elektron-Wechselwirkung berücksichtigt.Im zweiten Teil der Arbeit wird der theoretische Apparat auf typische experimentelle Fragestellungen angewandt. Im Falle der Phonon-Drag-Experimente an GaAs/AlGaAs Heterostrukturen wird der durch akustische Nichtgleichgewichtsphononen in zwei- und eindimensionalen Elektronensystemen induzierte elektrische Strom (Phonon-Drag-Strom) als Funktion des Ortes der Phononenquelle bestimmt. Das in der Arbeit hergeleitete theoretische Modell kann die experimentellen Resultate für die Winkelabhängigkeit des Drag-Stromes sowohl für Messungen mit und ohne Magnetfeld qualitativ gut beschreiben. Außerdem wird der Einfluss unterschiedlicher Confinementmodelle und unterschiedlicher Wechselwirkungsmechanismen studiert. Dadurch ist es möglich, aus Phonon-Drag-Messungen Rückschlüsse auf die elektronischen und strukturellen Eigenschaften der niederdimensionalen Elektronensysteme zu ziehen (Fermivektor, effektive Masse, Elektron-Phonon-Kopplungskonstanten, Form des Confinementpotentials). Als weiteres Anwendungsbeispiel wird das Problem der Energierelaxation (aufgeheizter)zweidimensionaler Elektronensysteme in GaAs Heterostrukturen und Quantentrögen untersucht. Für Elektronentemperaturen unterhalb 50 K werden die Gesamtemissionsrate als Funktion der Temperatur und die winkelaufgelöste Emissionsrate (als Funktion der Detektorposition) berechnet. Für beide Größen wird erstmals eine gute Übereinstimmung zwischen Theorie und Experiment gefunden. Es zeigt sich, dass akustische Anisotropie und Abschirmungseffekte zu überraschenden neuen Ergebnissen führen können. Ein Beispiel dafür ist der unerwartet große Beitrag der mittels Deformationspotential-Wechselwirkung emittierten transversalen akustischen Phononen, der bei einer Emission der Phononen näherungsweise senkrecht zum zweidimensionalen System beobachtet werden kann.

Made available in DSpace on 2016-06-02T20:15:31Z (GMT). No. of bitstreams: 1 5844.pdf: 11430873 bytes, checksum: b80a5790a9ebf6ae63ff48e52968ae60 (MD5) Previous issue date: 2014-02-21 / Universidade Federal de Sao Carlos / O crescimento e caracterização de sistemas de heteroestruturas semicondutoras quasi-unidimensionais têm atraído grande interesse devido à sua potencial de aplicação tecnológica, como foto-detectores, dispositivos opto-eletrônicos assim como seu para o processamento de informação quântica e aplicações em fotônica. O objetivo desta tese é o estudo das propriedades de transporte eletrônico e de spin em sistemas semicondutores quasi-unidimensionais, especificamente trataremos de nanofios (NWs) homogêneos, NWs acoplados, NWs do tipo plano-geminado (TP), diodos de tunelamento ressonante (ETD) e cadeias de pontos quânticos (QDCS). Escolhemos o método k-p, particularmente o Hamiltoniano de Luttinger, para descrever os efeitos de confinamento e tensão biaxial. Este sugeriu uma modulação do caráter do estado fundamental que, complementada com a dinâmica fônons fornecidas pelas simulações da Dinâmica Molecular (MD), permitiu a descrição da modulação da mobilidade de buracos por emissão ou absorção de fônons. Em relação ao sistema de NWs acoplado,estudamos, através do método da matriz de transferência (TMM), as propriedades de transporte de elétrons e spin sob a interação de spin-órbita (SOI) de Eashba, localizada na região de acoplamento entre fios. Foram consideradas várias configurações de tensões de gate (Vg) aplicadas nos fios. Desse modo, compreendemos a modulação do transporte de spin quando esse é projetado no direção-z através da combinação do SOI e das dimensionalidades do sistema. Da mesma forma, a combinação de SOI e da Vg aplicada deu origem a modulação da polarização, quando o spin medido é projetado na mesma direção em que o SOI de Eashba atua, a direção y. Usando o TMM, exploramos as propriedades de transporte de um DBS e o efeito de uma resistência em série com o intuito de provar a natureza da biestabilidade das curvas características I V bem como o aumento de sua área com temperatura, resultados fornecidos por experimentos. O modelo indicou que aumentando da resistência pela diminuição sa temperatura aumenta a área biestável. A presença de uma hetero-junção adicional ao sistema induz uma densidade de carga nas suas interfaces. De acordo com esta configuração, a queda de tensão total do ETDS muda, podendo ser confirmada experimentalmente. A formação dos peculiares campos de deformação e sua influência sobre a estrutura eletrônicas e propriedades de transporte em superredes de TP foi estudada sistematicamente. Assim, as propriedades de transporte, de ambos os elétrons e buracos, pode ser sintonizada eficientemente, mesmo no caso de elétrons r em sistemas de blenda de zinco, contrastando com a prevista transparência de elétrons r em superredes de semicondutores III-V heteroestruturados. Além disso, constatamos que a probabilidade de transmissão para buracos da banda de valência também poderia ser efetivamente modificada através de uma tensão externa.Por fim, colaboradores sintetizaram com sucesso sistemas de QDCs de InGaAs através da epitaxia de feixe molecular e engenharia de tensão. Um comportamento anisotrópico da condutância com a temperatura foi observado em QDCs com diferentes concentrações de dopagem, medida realizada ao longo e entre os QDCs. O modelo teórico 1D de hoppíng desenvolvido mostrou que a presença de estados OD modela a resposta anisotrópica da condutância neste sistemas. / The growth and characterization of semiconductor quasi-one-dimensional heterostructure systems have attracted increasing interest due to their potential technological application, like photo-detectors, optoelectronic devices and their promising features for quantum information processing and photonic applications. The goal of this thesis is the study of electronic and spin transport properties on quasi-one-dimensional semiconductor systems; specifically, homogenous nanowires (NWs), coupled NW s, twin-plane (TP) NWs, resonant tunneling diodes (RTDs), and quantum dot chains (QDCs). The k-p method, in particular the Luttinger Hamiltonian, was chosen to describe the effects of biaxial confinement and strain. This suggested a modulation of the ground state character that, complemented with the phonon dynamics provided by Molecular Dynamics (MD) simulations, allowed the description of the hole mobility modulation by either phonon emission or absorption. Regarding the coupled NW s system, the electron and spin transport properties affected by a Rashba spin-orbit interaction (SOI) at the joined region were unveiled through the Transfer Matrix Method (TMM). Various configurations of gate voltages (Vg), applied on the wire structure, were considered. We were able to understand the modulation of the spin transport projected in the z-direction trough the combination of the SOI and the system dimensionalities. Likewise, the combination of SOI and applied Vg gave rise to a modulation of the polarization, when the measured spin is projected in the same direction where the Rashba SOI acts, the y-direction. The transport properties of a DBS and the effect of a resistance in series was explored within the TMM to prove the nature of a bistability of the I V characteristics and its enhanced area with temperature provided by the experiment. The model indicates that increasing the resistente by decreasing the temperature, the bistable area enhances. The presence of an additional heterojunction induces a sheet charge at its interfaces. Under this configuration, the total voltage drop of the RTD changes and can be confirmed experimentally.The formation of the peculiar strain fields and their influence on the electronic structure and transport properties of a TP superlattice was systematically studied. Hence, the transport properties of both electrons and holes could be effectively tuned even in the case of T-electrons of zincblende systems, contrasting to the predicted transparency of T-electrons in heterolayered III-V semiconductor superlattices. Also, the transmission probability for holes at valence band could also be effectively modified by applying an external stress. Finally, using molecular-beam-epitaxy and skillful strain engineering, systems of In-GaAs QDCs were successfully synthesized by collaborators. The QDCs with different doping concentrations showed an anisotropic behavior of the conductance, measured along and across the QDCs, with temperature. The theoretical ID hopping model developed found that the presence of OD states shapes the anisotropic response of the conductance in this system.