Esta dissertação discute o desenvolvimento de modelos analíticos e numéricos para as características elétricas de transistores de fios quânticos. Sendo assim, realizou-se um estudo implementando uma sequência de formalismos e ferramentas computacionais para solução auto-consistente das equações de Schrödinger e Poisson para poços e fios quânticos. Com a utilização deste método numérico pode-se determinar os auto-estados os níveis de energias e as densidades eletrônicas de portadores livres, dentre outros parâmetros relevantes para dispositivos de fio quântico. Adicionalmente, realizou-se um estudo analítico das heteroestruturas semicondutoras de interesse para a área de dispositivos de dimensionalidade reduzida. Este estudo levou a obtenção de resultados referentes ao desenvolvimento de modelos teóricos para as características elétricas de dispositivos baseados no mecanismo de tunelamento ressonante. Os resultados obtidos para a característica corrente-tensão (I-V) nas heteroestruturas investigadas foram contrastados satisfatoriamente com os encontrados na literatura. Este ferramental analítico foi então aplicado para computar o coeficiente de transmissão eletrônico de um diodo de fio quântico com tunelamento ressonante. / This dissertation discusses the development of analytical and numerical models for the electrical characteristics of quantum wire transistors. A study is carried out, implementing a sequence of formalisms and computational tools for the self-consistent solution of the equations of Schrödinger and Poisson in quantum wells and quantum wires. By using this numerical formulation it is possible to determine the eigenstates, energy levels and free-carrier electronic density, among other relevant parameters for quantum wire devices. In addition, we also conducted an analytical study concerning semiconductor heetrostrucures of interest for reduced dimensionality devices applications. This study led to results regarding the development of theoretical models for the electrical characteristics of devices based on the resonant tunneling mechanism. The results obtained for the current-voltage (I-V) characteristics in the investigated heterostructures were satisfactorily compared to those available at the published literature and this analytical tool was then used to compute the electronic transmission coefficient in a resonant tunneling quantum wire diode.

<p> Semiconductor quantum wire (QWR) structure is a promising candidate for potential applications in long wavelength laser devices. In this thesis, the investigations were focused on the growth and characterization on the structural and optical properties of InAs quantum wires deposited on InGaAlAs lattice matched with InP substrate by gas source molecular beam epitaxy. </p> <P> The practical growth parameters were first determined by studying the samples containing single InAs layer embedded within Ino.s3Gll{)_37Alo.10As barrier layers. These parameters were then employed for fabricating multilayer quantum wires with different (1) spacer layer thicknesses; (2) quantum wire layer thicknesses; and (3) different Al concentrations in the spacer/barrier layer materials. </P> <P>Structural properties of the quantum wires were characterized by (scanning) transmission electron microscopy based techniques. The composition variation, elastic field and the variation of QWR stacking patterns in multilayer samples were qualitatively studied through diffraction contrast imaging. Quantification of the In distribution in individual QWRs and the QWR-induced In composition modulation in barrier layers were obtained by electron energy loss spectrometry and energy dispersive X-ray spectrometry, respectively. These experimentally observed structural features were explained through finite element simulations. </P> <P> The optical properties of the QWR structures were studied by photoluminescence. Optical emission at room temperature was achieved from selected multilayer QWR samples after etching and rapid thermal annealing. The emission wavelength ranging from 1.53 to 1.72 μm makes the QWR structure suitable candidates for laser device applications. </P> / Thesis / Doctor of Philosophy (PhD)

No description available.

<p>The heteroepitaxial growth of InAs self-assembled quantum wires on vicinal substrates is investigated. InGaAlAs lattice-matched to InP was first deposited onto an InP(001) substrate with and without a 0.9 degree off-cut toward the (110) direction, followed by the deposition of a strained layer of InAs. Dense InAs quantum wires were successfully grown on both nominally flat and vicinal substrates in order to observe the effect of the presence of atomic steps. The off-cut angle was chosen based on the wire spacing on a flat substrate to serve as a template for their nucleation and improve their size distribution for use as 1.55 um wavelength lasers required by the telecommunications industry. The results have shown a modest but statistically significant improvement in the width of their size distribution. In addition, a kinetic Monte Carlo simulation including full strain calculations was developed to further understand the nucleation process. The model developed here disproves the idea that InAs quantum wires are aligned towards the (-110) direction due to diffusion anisotropy. The simulation of the formation of quantum wires similar to those observed experimentally has been achieved and the Stranski-Krastanow growth mode is demonstrated.</p> / Master of Materials Science and Engineering (MMatSE)

<p>In this work, we study two important themes in the physics of the interacting one-dimensional (1D) electron gas: the transition from one-dimensional to higher dimensional behavior, and the role of inhomogeneity. The interplay between interactions, reduced dimensionality, and inhomogeneity drives a rich variety of phenomena in mesoscopic physics. In 1D, interactions fundamentally alter the nature of the electron gas, and the homogeneous 1D electron gas is described by Luttinger Liquid theory. We use Quantum Monte Carlo methods to study two situations that are beyond Luttinger Liquid theory --- the quantum phase transition from a linear 1D electron system to a quasi-1D zigzag arrangement, and electron localization in quantum point contacts. </p><p>Since the interacting electron gas has fundamentally different behavior in one dimension than in higher dimensions, the transition from 1D to higher dimensional behavior is of both practical and theoretical interest. We study the first stage in such a transition; the quantum phase transition from a 1D linear arrangement of electrons in a quantum wire to a quasi-1D zigzag configuration, and then to a liquid-like phase at higher densities. As the density increases from its lowest values, first, the electrons form a linear Wigner crystal; then, the symmetry about the axis of the wire is broken as the electrons order in a quasi-1D zigzag phase; and, finally, the electrons form a disordered liquid-like phase. We show that the linear to zigzag phase transition occurs even in narrow wires with strong quantum fluctuations, and that it has characteristics which are qualitatively different from the classical transition.</p><p>Experiments in quantum point contacts (QPC's) show an unexplained feature in the conductance known as the ``0.7 Effect''. The presence of the 0.7 effect is an indication of the rich physics present in inhomogeneous systems, and we study electron localization in quantum point contacts to evaluate several different proposed mechanisms for the 0.7 effect. We show that electrons form a Wigner crystal in a 1D constriction; for sharp constriction potentials the localized electrons are separated from the leads by a gap in the density, while for smoother potentials, the Wigner crystal is smoothly connected to the leads. Isolated bound states can also form in smooth constrictions if they are sufficiently long. We thus show that localization can occur in QPC's for a variety of potential shapes and at a variety of electron densities. These results are consistent with the idea that the 0.7 effect and bound states observed in quantum point contacts are two distinct phenomena.</p> / Dissertation

Estudamos as propriedades eletrônicas de dois sistemas quase-unidimensionais distintos, resolvendo autoconsistentemente as equações de Schrödinger e Poisson.O método usado para calcular a estrutura eletrônica deste sistema e baseada na solução da equação de Schrödinger dependente do tempo usando a técnica do Split-Operator. No primeiro sistema estudamos os efeitos da corrugação periódica da interface da estrutura n-AlxGa1-xAs/GaAs na densidade eletrônica ao longo desta interface. A forma geométrica desta interface e do tipo dente de serra. Nas camadas de inversão convencionais, os elétrons estão distribuídos uniformemente ao longo da interface plana da heteroestrutura, mas devido à forma dente de serra desta estrutura, os elétrons se distribuem de maneira não uniforme ao longo da interface, produzindo um gás de elétrons quase-unidimensional. A estrutura que investigamos possui um período de 806 ANGSTROM e uma densidade residual uniforme de impurezas aceitadoras da ordem de 1015 cm-3. Calculamos a estrutura eletrônica do gás de elétrons unidimensional confinado na interface corrugada em função da voltagem aplicada ao gate, da densidade de impurezas doadoras e da temperatura. Os resultados obtidos para a densidade eletrônica mostram que, dependendo da densidade de impurezas doadoras, haverá formação de u gás de elétrons quase-unidimensional nos vértices da estrutura dente de serra. O segundo sistema que estudamos é constituído por um gás de elétrons bidimensional, formado na interface de uma camada de Al1-xGa1-xAs com uma camada de GaAs, sobre a qual, temos uma estrutura periódica de \"gates\". Aplicando-se uma voltagem negativa sobre os \"gates\" teremos a formação de fios quânticos nas regiões entre os \"gates\". Neste sistema observamos a transição de um sistema quase-bidimensional para um quase-unidimensional. Investigamos suas propriedades eletrônicas em funçãoo da temperatura, da voltagem aplicada aos \"gates\" e da densidade de impurezas doadoras. / We have studied the electronic properties of two different quasi-one-dimensional systems solving self-consistently the Schrödinger and Poisson equation. The method we use to calculate the electronic levels is based on the solution of the time-dependent Schrödinger equation using the split-operator technique. In the first system we have studied, we present a theoretical calculation of the electronic structure of v-groove quantum wires confined in modulation-doped n-AlxGa1-xAs/GaAs. The system investigated is saw tooth corrugated by bendings with period of 850 ANGSTROM. Results of the electronic structure are obtained as a function of the gate voltage and the donor impurity density. The electronic density shows the existence of a quasi one-dimensional electron gas. The second system studied here is composed by a two-dimensional electron gas confined at the interface of an Al1-xGa1-xAs/GaAs heterostructure, on top of which there is a periodic structure of gates. When a negative voltage is applied to the gates, the regions at the interface beneath them are depleted and quantum wires are formed. We have calculated the electronic structure of subband of that system. We investigated the electronic properties of the quantum wires as a function of gate voltage, from which we determine the threshold between the 2D and ID transitions, the temperature and the ionized donor density.

La thèse, composée de trois parties, est consacrée à des problèmes physiques différents reliés à la Théorie Conforme des Champs (CFT) bidimensionnelle. La première partie s'intéresse aux propriétés de transport hors d'équilibre à travers une jonction de fils quantiques. Trois modèles y sont étudiés. Le premier décrit les fils par un champs bosonique libre compactifié vu comme la bosonisation du liquide de Luttinger d'électrons. La jonction des fils est modélisée par une condition limite assurant la diffusion non triviale des charges entre les fils. Associant la quantification canonique et l'intégrale fonctionnelle, on calcule exactement les fonctions de corrélation des courants dans l'état d'équilibre du modèle, mais aussi dans un état stationnaire hors d'équilibre, ainsi que la statistique complète de comptage pour les transferts de charge et d'énergie entre les fils maintenus en températures et potentiels différents. Les deux autres modèles d'une jonction de fils quantiques sont basés sur la théorie de Wess-Zumino-Witten (WZW). Dans le premier, la jonction est décrite par une "brane cyclique" et dans le deuxième, par une "brane coset". Les résultats dans le premier cas sont aussi complets que pour le champ libre, mais les charges y sont entièrement transmises d'un fils au suivant. Dans le deuxième cas, la diffusion des charges n'est pas triviale, mais le modèle se révèle difficile à résoudre. La deuxième partie de la thèse étudie les anomalies globales de jauge dans les modèles "coset" de CFT réalisés comme la théorie WZW jaugée. La classifications (presque) complète de telles anomalies, lesquelles rendent certains modèles coset inconsistants, est présentée. Elle emploie la classification des sous-algèbres des algèbres de Lie simples due à Dynkin. Finalement, la troisième partie de la thèse décrit la construction géométrique d'indice des familles d'opérateurs unitaires obtenues des projecteurs sur les bandes de valence d'un isolant topologique bidimensionnel invariant par renversement du temps. L'indice construit est relié d'un côté à la racine carrée de l'amplitude de Wess-Zumino d'une telle famille, et, de l'autre, il reproduit l'invariant de Kane-Mele de l'isolant. La dernière identification exige un argument complexe qui exploite une nouvelle anomalie de jauge pour les modèles WZW à bord. Les trois parties de la thèse emploient des outils géométriques de CFT assez semblables, permettant d'obtenir toute une série des résultats originaux. Cette unité de méthode, ainsi que le thème des anomalies, constituent le trait d'union entre les différents composants du manuscrit. / The thesis, consisting of three parts, is focusing on different physical problems that are related to two dimensional Conformal Field Theory (CFT).The first part deals with nonequilibrium transport properties across a junction of quantum wires. Three models are studied. The first one describes the wires by a free compactified bosonic field, seen as the bosonization of the Luttinger liquid of electrons. The junction of the wires is modeled by a boundary condition that ensures nontrivial scattering of the charges between the wires. Combining canonical quantization and functional integral, we compute exactly the current correlation functions in equilibrium, but also in a nonequilibrium stationary state, as well as the full counting statistics of charge and energy between the wires set at different temperatures and potentials. The two other models of quantum wire junction are based on Wess-Zumino-Witten theory (WZW). In the first one, the junction is described by a “cyclic brane” and in the second, by a “coset brane”. The results in the first case are as complete as for the free field, but the charges are fully transmitted from one wire to the next one. In the second case, the scattering is nontrivial, but the model turns out to be difficult to solve.The second part of the thesis studies the global gauge anomalies in “coset” models of CFT, realized as gauged WZW theories. The (almost) complete classification of such anomalies, that lead to some inconsistent coset models, is presented. It is based on Dynkin classification of subalgebras of simple Lie algebras.Finally, the third part of the thesis describes the geometric construction of index from unitary operator families obtained from valence band projectors of a two-dimensional time-reversal invariant topological insulator. The index is related on one hand to the square root of the Wess-Zumino amplitude of such a family, and, on the other hand, it reproduces the Kane-Mele invariant of the insulator. The last identification requires a nontrivial argument that uses a new gauge anomaly of WZW models with boundary.The three parts of the thesis use similar geometrical tool of CFT, that permits to obtain several original results. The unity in the method, as well as the topic of anomalies, builds a bridge between the different components of the manuscript.

This thesis studies electron spin phenomena in lateral semi-conductor quantum dots/anti-dots and electron conductance in graphene nanoribbons by numerical modelling. In paper I we have investigated spin-dependent transport through open quantum dots, i.e., dots strongly coupled to their leads, within the Hubbard model. Results in this model were found consistent with experimental data and suggest that spin-degeneracy is lifted inside the dot – even at zero magnetic field. Similar systems were also studied with electron-electron effects incorporated via Density Functional Theory (DFT) in the Local Spin Density Approximation (LSDA) in paper II and III. In paper II we found a significant spin-polarisation in the dot at low electron densities. As the electron density increases the spin polarisation in the dot gradually diminishes. These findings are consistent with available experimental observations. Notably, the polarisation is qualitatively different from the one found in the Hubbard model. Paper III investigates spin polarisation in a quantum wire with a realistic external potential due to split gates and a random distribution of charged donors. At low electron densities we recover spin polarisation and a metalinsulator transition when electrons are localised to electron lakes due to ragged potential profile from the donors. In paper IV we propose a spin-filter device based on resonant backscattering of edge states against a quantum anti-dot embedded in a quantum wire. A magnetic field is applied and the spin up/spin down states are separated through Zeeman splitting. Their respective resonant states may be tuned so that the device can be used to filter either spin in a controlled way. Paper V analyses the details of low energy electron transport through a magnetic barrier in a quantum wire. At sufficiently large magnetisation of the barrier the conductance is pinched off completely. Furthermore, if the barrier is sharp we find a resonant reflection close to the pinch off point. This feature is due to interference between a propagating edge state and quasibond state inside the magnetic barrier. Paper VI adapts an efficient numerical method for computing the surface Green’s function in photonic crystals to graphene nanoribbons (GNR). The method is used to investigate magnetic barriers in GNR. In contrast to quantum wires, magnetic barriers in GNRs cannot pinch-off the lowest propagating state. The method is further applied to study edge dislocation defects for realistically sized GNRs in paper VII. In this study we conclude that even modest edge dislocations are sufficient to explain both the energy gap in narrow GNRs, and the lack of dependance on the edge structure for electronic properties in the GNRs.

abstract: One dimensional (1D) and quasi-one dimensional quantum wires have been a subject of both theoretical and experimental interest since 1990s and before. Phenomena such as the "0.7 structure" in the conductance leave many open questions. In this dissertation, I study the properties and the internal electron states of semiconductor quantum wires with the path integral Monte Carlo (PIMC) method. PIMC is a tool for simulating many-body quantum systems at &#64257;nite temperature. Its ability to calculate thermodynamic properties and various correlation functions makes it an ideal tool in bridging experiments with theories. A general study of the features interpreted by the Luttinger liquid theory and observed in experiments is &#64257;rst presented, showing the need for new PIMC calculations in this &#64257;eld. I calculate the DC conductance at &#64257;nite temperature for both noninteracting and interacting electrons. The quantized conductance is identi&#64257;ed in PIMC simulations without making the same approximation in the Luttinger model. The low electron density regime is subject to strong interactions, since the kinetic energy decreases faster than the Coulomb interaction at low density. An electron state called the Wigner crystal has been proposed in this regime for quasi-1D wires. By using PIMC, I observe the zig-zag structure of the Wigner crystal. The quantum &#64258;uctuations suppress the long range correla- tions, making the order short-ranged. Spin correlations are calculated and used to evaluate the spin coupling strength in a zig-zag state. I also &#64257;nd that as the density increases, electrons undergo a structural phase transition to a dimer state, in which two electrons of opposite spins are coupled across the two rows of the zig-zag. A phase diagram is sketched for a range of densities and transverse con&#64257;nements. The quantum point contact (QPC) is a typical realization of quantum wires. I study the QPC by explicitly simulating a system of electrons in and around a Timp potential (Timp, 1992). Localization of a single electron in the middle of the channel is observed at 5 K, as the split gate voltage increases. The DC conductance is calculated, which shows the e&#64256;ect of the Coulomb interaction. At 1 K and low electron density, a state similar to the Wigner crystal is found inside the channel. / Dissertation/Thesis / Ph.D. Physics 2012

Estudamos as propriedades eletrônicas de dois sistemas quase-unidimensionais distintos, resolvendo autoconsistentemente as equações de Schrödinger e Poisson.O método usado para calcular a estrutura eletrônica deste sistema e baseada na solução da equação de Schrödinger dependente do tempo usando a técnica do Split-Operator. No primeiro sistema estudamos os efeitos da corrugação periódica da interface da estrutura n-AlxGa1-xAs/GaAs na densidade eletrônica ao longo desta interface. A forma geométrica desta interface e do tipo dente de serra. Nas camadas de inversão convencionais, os elétrons estão distribuídos uniformemente ao longo da interface plana da heteroestrutura, mas devido à forma dente de serra desta estrutura, os elétrons se distribuem de maneira não uniforme ao longo da interface, produzindo um gás de elétrons quase-unidimensional. A estrutura que investigamos possui um período de 806 ANGSTROM e uma densidade residual uniforme de impurezas aceitadoras da ordem de 1015 cm-3. Calculamos a estrutura eletrônica do gás de elétrons unidimensional confinado na interface corrugada em função da voltagem aplicada ao gate, da densidade de impurezas doadoras e da temperatura. Os resultados obtidos para a densidade eletrônica mostram que, dependendo da densidade de impurezas doadoras, haverá formação de u gás de elétrons quase-unidimensional nos vértices da estrutura dente de serra. O segundo sistema que estudamos é constituído por um gás de elétrons bidimensional, formado na interface de uma camada de Al1-xGa1-xAs com uma camada de GaAs, sobre a qual, temos uma estrutura periódica de \"gates\". Aplicando-se uma voltagem negativa sobre os \"gates\" teremos a formação de fios quânticos nas regiões entre os \"gates\". Neste sistema observamos a transição de um sistema quase-bidimensional para um quase-unidimensional. Investigamos suas propriedades eletrônicas em funçãoo da temperatura, da voltagem aplicada aos \"gates\" e da densidade de impurezas doadoras. / We have studied the electronic properties of two different quasi-one-dimensional systems solving self-consistently the Schrödinger and Poisson equation. The method we use to calculate the electronic levels is based on the solution of the time-dependent Schrödinger equation using the split-operator technique. In the first system we have studied, we present a theoretical calculation of the electronic structure of v-groove quantum wires confined in modulation-doped n-AlxGa1-xAs/GaAs. The system investigated is saw tooth corrugated by bendings with period of 850 ANGSTROM. Results of the electronic structure are obtained as a function of the gate voltage and the donor impurity density. The electronic density shows the existence of a quasi one-dimensional electron gas. The second system studied here is composed by a two-dimensional electron gas confined at the interface of an Al1-xGa1-xAs/GaAs heterostructure, on top of which there is a periodic structure of gates. When a negative voltage is applied to the gates, the regions at the interface beneath them are depleted and quantum wires are formed. We have calculated the electronic structure of subband of that system. We investigated the electronic properties of the quantum wires as a function of gate voltage, from which we determine the threshold between the 2D and ID transitions, the temperature and the ionized donor density.