<p>In this thesis we report on the metal-mediated-thermally induced changes of the structural and optical properties of hydrogenated amorphous silicon deposited by hot-wire CVD, where aluminium and nickel were used to induce crystallization. The metal-coated amorphous silicon was subjected to a thermal annealing regime of between 150 and 520&deg / C. The structural measurements, obtained by Raman spectroscopy, show partial crystallization occurring at 350 &deg / C. At the higher annealing temperatures of 450&deg / C and 520&deg / C complete crystallization occurs. Reflection and transmission measurements in the UV-visible range were then used to extract the optical properties. By adopting the effective medium approximation a single optical model could be constructed that could successfully model material that was in different structural phases, irrespective of metal contamination. Changes in the absorption of the material in various stages of transition were confirmed with a directly measured absorption technique, and the modelled absorption closely followed the same trends This study forms part of the larger overall solar cell research project, of which the primary aim is to eventually develop a silicon solar panel that optimises the characteristics for best performance.</p>

No description available.

<p>The role of the surroundings, or <italic> environment </italic>, is essential in understanding funda- mental quantum-mechanical concepts, such as quantum measurement and quantum entanglement. It is thought that a dissipative environment may be responsible for certain types of quantum (i.e. zero-temperature) phase transitions. We observe such a quantum phase transition in a very basic system: a resonant level coupled to a dissipative environment. Specifically, the resonant level is formed by a quantized state in a carbon nanotube, and the dissipative environment is realized in resistive leads; and we study the shape of the resonant peak by measuring the nanotube electronic conductance.</p><p>In sequential tunneling regime, we find the height of the single-electron conductance peaks increases as the temperature is lowered, although it scales more weakly than the conventional T<super>-1</super>. Moreover, the observed scaling signals a close connec- tion between fluctuations that influence tunneling phenomenon and macroscopic models of the electromagnetic environment.</p><p>In the resonant tunneling regime (temperature smaller than the intrinsic level width), we characterize the resonant conductance peak, with the expectation that the width and height of the resonant peak, both dependent on the tunneling rate, will be suppressed. The observed behavior crucially depends on the ratio of the coupling between the resonant level and the two contacts. In asymmetric barriers the peak width approaches saturation, while the peak height starts to decrease.</p><p>Overall, the peak height shows a non-monotonic temperature dependence. In sym- metric barriers case, the peak width shrinks and we find a regime where the unitary conductance limit is reached in the incoherent resonant tunneling. We interpret this behavior as a manifestation of a quantum phase transition.</p><p>Finally, our setup emulates tunneling in a Luttinger liquid (LL), an interacting one-dimensional electron system, that is distinct from the conventional Fermi liquids formed by electrons in two and three dimensions. Some of the most spectacular properties of LL are revealed in the process of electron tunneling: as a function of the applied bias or temperature the tunneling current demonstrates a non-trivial power-law suppression. Our setup allows us to address many prediction of resonant tunneling in a LL, which have not been experimentally tested yet.</p> / Dissertation

Les composés en couches avec des ions métaux de transition ont leur bande de conduction dans les orbitales d. On se concentrera dans cette thèse sur les systèmes où le champs cristallin sépare les orbitales en deux sets dégénérés, t2g et eg, où les électrons de conduction sont sur les orbitales eg. C'est le cas pour les dichalcogénures en couches à métaux de transitions et 2H-AgNiO2 qui sont connus pour présenter des ordres de charge, un arrangement périodique des électrons sur le réseau. Les dichalcogénures en couches à métaux de transitions ont divers motifs, des ordres des charge commensurables et incommensurables, parmi eux, des ordres de charge à grande maille unité,comme le motif √13x√13 en étoile de David. 2H-AgNiO2 a un ordre de charge triple mais reste métallique.Dans le but de comprendre leurs ordres de charge, nous avons établi un modèle de Hubbard étendu multibandes et nous avons recentré notre intérêt sur les orbitales eg avec fortes interactions coulombiennes locales. À l'aide d'une approche en liaison forte et de considérations électrostatiques, puis grâce à la méthode de Hartree-Fock non restreinte, nous avons construit le diagramme de phases en fonction de la force des interactions coulombiennes, aussi bien locale qu'à courte portée, et nous avons fait évoluer la structure de bande en utilisant le ratio libre t'/t qui décrit la structure de bande dans les matériaux ayant des orbitales eg. Nous avons révélé un diagramme de phase riche avec plus de dix phases où certaines transitions peuvent être contrôlées par la structure de bande. En particulier, nous avons trouvé des phases pinball liquid, un ordre de charge métallique à trois sites par maille unité, où des charges localisées (pins) sont entourées de charges itinérantes (balls) sur un réseau hexagonal. Des ordres de charges à grande maille unité sont aussi stabilisés, tels que des ordres de charge et d'orbitale incommensurables et un ordre de charge √12x√12, qui rappelle le motif √13x√13 en étoile de David présent dans 1T-TaS2. Ces états électroniques s'avèrent génériques pour le réseau triangulaire demi rempli et sont aussi trouvés dans le cas isotrope, qui correspond au modèle de Hubbard étendu à une bande.Cependant, la méthode de Hartree-Fock non restreinte est problématique pou saisir les propriétés des phases lors d'une forte anisotropie de la structure de bande pour les états de Mott. Pour résoudre ce problème, nous avons établi un hamiltonien type Heisenberg à partir d'une théorie de perturbation. Ensuite, nous avons établit le diagramme de phases de ce nouvel hamiltonien en utilisant une approche classique et la diagonalisation exacte avec une analyse de symétries et l'algorithme de Lanczos pour un système de 24 sites. Mis à part les phases connues du modèle de Heisenberg en présence d'un champ magnétique, les configuration Y et V, le plateau 1/3, la phase ferro-orbitale, l'anisotropie de la structure de bande des orbitales eg conduit à d'autres ordres avec une composante τy ou τx et τz finies, différents ordres en bande et des ondes de densité d'orbitales. / Layered compounds are materials which exhibit charge order and novel phase of matter. This is the case in layered transition metal compounds, which have their band conduction on d-orbitals, a key ingredient to understand their electronic properties. We will focus in this dissertation on systems where the crystal-field splits orbitals into two degenerate subsets, t2g and eg, and where conduction electrons are on eg-orbitals. It is the case for layered transition-metal dichalcogenides and 2H-AgNiO2, which are known to exhibit charge orders, a periodic arrangement of electrons on the lattice. Layered transition-metal dichalcogenides have various pattern, incommensurate or commensurate insulating charge orders, among them large-unit cells charge orders. 2H-AgNiO2 have a charge order but is yet metallic.In order to investigate their charge orders, we derive a generic multiorbital extended Hubbard model and we refine our interest to eg-orbital with strong local Coulomb interactions. With a tight binding approach and electrostatic considerations, then the unrestricted Hartree-Fock method, we build the phase diagrams as a function of the strength of the Coulomb interactions, local and short-range, and we tun the band structure using the ratio $t'/t$ of the $e_g$-orbitals. We unravel a rich phase diagram with more than ten phases where some transitions can be controlled by the band structure. In particular, we found pinball liquid phases, metallic threefold charge orders where localized charges (pins) are surrounded by itinerant charges (balls) on a honeycomb lattice. Phases with large unit-cells are also stabilized, such as incommensurate charge and orbital orders and a √12x√12 charge order. These electronic states are generic for the half-filled triangular lattice and are also found in the isotropic limit, which corresponds to the single-band spinful extended Hubbard model.To capture the properties of phases with strong band structure anisotropy in the Mott state, that unrestricted Hartree-Fock fails to capture, we derived a Heisenberg-like Hamiltonian from perturbation theory. Then, we build the phase diagram of this new effective Hamiltonian using a classical approach and exact diagonalization with a symmetry analysis and Lanczos algorithm for a 24-site cluster. Apart from the known phases of the Heisenberg model in presence of a field, the Y and V configuration, the 1/3 plateau, the ferro-orbital phase, the anisotropy of the band structure of eg-orbitals leads to other ordering with finite τy or τx and τz components, different stripe orders and orbital density waves. We build a rich phase diagram from this new Hamiltonian.

No description available.

Materials in proximity to quantum critical points (QCPs) experience strong fluctuations in the order parameter associated with the transition and often, as a result, display interesting properties. In this dissertation, we have used a variety of experimental probes such as Shubnikov-de Haas quantum oscillations, thermal conductivity and heat capacity, to better understand two such materials — $A_3T_4$Sn$_{13}$ and YFe$_2$Ge$_2$. $A_3T_4$Sn$_{13}$ ($A$ = Ca, Sr; $T$ = Ir, Rh) is a family of quasi-skutterudite superconductors with moderate $T_c$’s between 4 and 8 K. Although the superconductivity is believed to be phonon-mediated with s-wave pairing symmetry, an unusual second-order structural transition makes this material family fascinating to study. Whether this structural transition is a result of three distortions with perpendicular wavevectors resulting in a cubic-to-cubic transformation, or each wavevector acting independently giving rise to cubic-to-tetragonal transformations and formation of twinned domains is a disputed issue. We have measured quantum oscillations in the resistivity of Sr3Ir4Sn13 and compared it to density functional theory (DFT) calculations for both scenarios. Our results strongly suggest that the former interpretation is correct. The structural transition temperature $T^*$ in $A_3T_4$Sn$_{13}$ can be suppressed to zero by tuning with physical or chemical pressure. In (Ca$_x$Sr$_{1−x}$)$_3$Rh$_4$Sn$_13$, the quantum critical point can be accessed purely by chemical substitution at x ~ 0.9. In the vicinity of the QCP, we expect large fluctuations of the order parameter at low temperatures, which for a structural transition could manifest as a structural disorder. We have measured thermal conductivity at temperatures much lower than $T_c$ and found that it is well described by a single power law with suppressed exponents near the QCP. The heat capacity, however, remains ~ $T^3$. After excluding conventional phonon scattering mechanisms, we propose the possibility of intrinsic quasi-static spatial disorder that is related to the structural QCP. YFe$_2$Ge$_2$ is closely linked to the “122” family of iron-based superconductors like KFe$_2$As$_2$, although it has a significantly lower $T_c$ ~ 1 K. It has a rather three-dimensional Fermi surface which closely resembles that of KFe$_2$As$_2$ in the pressure-induced collapsed tetragonal phase. YFe$_2$Ge$_2$ is in proximity to several types of magnetic order which are predicted by DFT calculations to have lower energy than the non-spin polarised case. Even though YFe$_2$Ge$_2$ is non-magnetic, its superconductivity could be strongly affected by magnetic fluctuations. Through a collaboration with researchers at the University of Waterloo, we have measured the thermal conductivity of YFe$_2$Ge$_2$ down to millikelvin temperatures and up to 2.5 T in field. Our results suggest that YFe$_2$Ge$_2$ is a nodal superconductor. This result could assist in the explanation of the unconventional superconductivity in iron-based superconductors.

No description available.

In this dissertation we address the problem of second order phase transitions with absorbing states. We analyze the critical behavior of a one dimensional model simulated on one dimensional chains. The sites on the linear chain can be multiple occupied by particles that annhilates each other with a finite probability. It also presents parity-conserving branching with an even number of offsprings. The number of particles are constant modulo 2. We determine the threshold of the phase transition between the statistically stationary active state and the absorbing state. From steady-state simulations and a finite-size scaling analysis, we calculate the order-parameter, order-parameter fluctuations, and special correlation length critical exponents. We also followed the short-time critical relaxation to determine some dynamical critical exponents. The hyperscaling relation is checked for both sets of stationary and dynamical critical exponents which we found to be consistent with the BARW-PC universality class. / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Nesta dissertação abordamos um sistema que apresenta uma transição de fase de um estado ativo para um estado absorvente. O estudo envolve simulações numéricas em cadeias lineares e consideramos um modelo em que ocorre ramificação e aniquilação de caminhantes aleatórios. Admitimos que cada sítio da rede ser ocupado por mais de uma partícula, que difundem pela rede e se aniquilam imediatamente após o encontro. Cada partícula pode, em cada passo de tempo, gerar um determinado número n de filhotes, onde n é um número par. Investigamos as propriedades críticas do modelo usando simulações computacionais e a teoria de escala por tamanho finito. Analisamos a região de transição e após encontrado o ponto crítico calculamos o conjunto de expoentes críticos que é uma característica na vizinhança de transições de segunda ordem. O modelo apresenta conservação do número total de partículas modulo 2 e sua classe de universalidade difere da PD. A partir da análise dos resultados, encontramos o conjuntos de expoentes críticos, consistentes com a classe BARW - PC (branching and annihilating random walkers).

Le projet de thèse, mené en collaboration avec le laboratoire Medesis Pharma, porte sur la mise au point de deux formulations pharmaceutiques, une microémulsion inverse et un gel colloïdal, à base de Pécéol®, lécithine, éthanol et eau. Le lithium indiqué dans le traitement de maladies neurodégénératives a été utilisé comme un modèle de principe actif hydrophile dans le cadre de ce projet. Ce travail a été initié par l’étude du comportement de phases du mélange quaternaire Pécéol®/lécithine/éthanol/eau, mettant essentiellement l’accent sur les différents paramètres impliqués dans les transitions de phases, dans le but de déterminer le rôle du Pécéol® et de la lécithine dans la structuration du système.- L’étude des propriétés structurales de la microémulsion, dans le domaine riche en Pécéol®, a montré que la structure du système n’est pas cohérente avec un modèle classique de micelles sphériques, l’hypothèse d’une structure localement lamellaire a été proposée. Les propriétés de solubilisation de la microémulsion ont été évaluées par l’élaboration d’une série de diagrammes de phases pseudo-ternaires, en faisant varier le rapport éthanol/lécithine. Une efficacité optimale a été obtenue pour un rapport éthanol/lécithine égal à 40/60. La formulation optimisée est capable d’incorporer efficacement le lithium (Li), à des concentrations acceptables sans altérer la stabilité du système. L’étude des propriétés d’incorporation du Li dans la microémulsion a montré que le mécanisme d’encapsulation est compatible avec un modèle d’interactions de type drug-surfactant. Les résultats des études de stabilité de la microémulsion vide et chargée en Li menées selon les conditions ICH sont satisfaisants.- La structuration du gel clair, dans le domaine riche en lécithine, a été suivie par des analyses de rhéologie et de microscopie en lumière polarisée en fonction du rapport lécithine/Pécéol®. Les résultats ont montré que les propriétés rhéologiques du gel peuvent être modifiées en ajustant le rapport lécithine/Pécéol®. La caractérisation de la structure du gel clair par diffraction de rayons X aux petits angles (SAXS) et cryofracture conjuguée à la microscopie électronique en transmission (FF-TEM) a mis en évidence une structure anisotrope hexagonale H2. Alors que dans le domaine riche en eau, une structure anisotrope hexagonale inverse H2 et lamellaire Lα a été mise en évidence. Les propriétés rhéologiques modulables du gel dans le domaine riche en lécithine ainsi que sa grande capacité de rétention d’eau, sont particulièrement intéressantes pour une application du gel clair dans le domaine de pharmaceutique et/ou cosmétique. / This thesis project, carried out in collaboration with Medesis Pharma laboratory, is about the development of two pharmaceutical formulations, a reverse microemulsion and a colloidal gel, based on Pécéol®, lécithine, ethanol and water. The indicated lithium in the treatment of neurodegenerative diseases has been used as a hydrophilic principal active model for this project. This work started with the study of the phase behavior of the four component system Pécéol®/lecithin/éthanol/water, focusing primarily on the various parameters involved in phase transitions in order to determine the role of Pécéol® and lecithin in the structuring of the system.- The study of the structural properties of the reverse microemulsion, in the Pécéol® rich domain, showed that the system structure is not coherent with a classical model of spherical micelles, a hypothesis of a local lamellar structure was proposed. The solubilization properties of the microemulsion were evaluated following the development of a series of pseudo-ternary phase diagrams, by varying the ethanol/lecithin ratio. Optimal efficiency was obtained for an ethanol/lecithin ratio of 40/60. The optimized formulation is capable of effectively incorporating lithium (Li) to acceptable concentrations without altering the stability of the system. The study of the incorporation properties of Li in the microemulsion has shown that the encapsulation mechanism is compatible with drug-surfactant binding model. The results of the stability studies of the free and Li loaded microemulsion, conducted according to ICH conditions, are satisfactory.- The gel structuring was followed, in the lecithin rich domain, through rheological and optical microscopy analyses, according to lecithin/Pécéol® ratio. Results showed that the rheological properties of the gel can be modified by adjusting the lecithin/Pécéol® ratio. Moreover, the characterization of the gel structure through Small Angle X-Ray Scattering (SAXS) and Freeze Fracture-Transmission Electron Microscopy (FF-TEM) showed an inverse hexagonal phase H2. While, in the water rich region, an inverse hexagonal H2 and lamellar Lα phases were identified. The adjustable rheological properties of the clear gel, and its great water solubilisation capacity, are particularly interesting for the application of the gel in pharmaceutical and/or cosmetic fields.

Orientador: Prof. Dr. Germán Lugones / Tese (doutorado) - Universidade Federal do ABC, Programa de Pós-Graduação em Física, 2015. / Durante sua expansão inicial e consequente resfriamento o Universo passou por diversas transições. Uma delas, conhecida como transição de fase da QCD, prevista pelo modelo cosmológico padrão e pela física de partículas, ocorreu por volta de 10 s após o Big Bang, em temperaturas da ordem de 150-200MeV, atuou em quarks e gluôns inicialmente em estado quasi-livre confinando-os em hádrons. A maneira na qual esse processo se deu, pode ter gerado inúmeras implicações nas fases subsequentes e relíquias a serem observadas atualmente. Com o intuito de entender esse processo, resolvemos numericamente as equações de Euler no contexto da relatividade restrita com um código numérico multidimensional desenvolvido durante o trabalho, baseado no método de diferença finita com esquemas de alta ordem para os casos hidrodinâmicos newtoniano e relativístico. Nele empregamos métodos de reconstrução espacial no espaço característico de até sétima ordem, três diferentes separadores de fluxo e esquemas Runge-Kutta de alta estabilidade de terceira e quarta ordem para evolução temporal. Para implementação do caso multidimensional, utilizamos o método "dimensionally unsplit". Os primeiros trabalhos a respeito dessa época partiam do pressuposto que a transição era de primeira ordem e faziam uma análise semi-analítica da nucleação e colisão entre bolhas hadrônicas. Nesses trabalhos era conjecturado que a turbulência criada por esses mecanismos teria um perfil Komolgorov, ou alguma variação, e a partir disso calculava a radiação gravitacional produzida. Contudo resultados obtidos pelos grandes experimentos de colisão de íons pesados no RHIC e LHC, cuja condições geradas possuem algumas similaridades àquelas esperadas no Universo Primordial e nos cálculos feitos pela colaboração Wuppertal-Budapest com teoria da QCD na rede sugerem que, pelos parâmetros provenientes do modelo padrão, essa transição foi analítica, caracterizada por uma transformação suave entre as fases. Nesse cenário, não há mecanismos intrínsecos da transição que possam transferir energias para as escalas maiores para produzir e manter a turbulência no fluido,formando assim espectro diferente dos analisados trabalhos anteriores e consequentemente uma outra evolução do plasma primordial. Através de análises estatísticas e espectrais, propusemos entender a dinâmica de iii um fluido primordial que passa por um transição analítica, estudando a geração de ondas gravitacionais geradas a partir da evolução de um fluido com estado inicial formado por distribuições randômicas de temperatura e velocidade e comparando-as com a curva de sensibilidade do eLISA/NGO. Procuramos entender também como a presença da instabilidade de Kelvin-Helmholtz bidimensional engatilhada a partir das flutuações provenientes de outras eras pode ter influenciado no crescimento de perturbações e da turbulência e suas consequências para o espectro da radiação gravitacional. / During its initial expansion and cooling, the Universe passed through several transitions. One of them, know as QCD phase transition occurred around 10 s after the Big Bang, at a temperature of the order of 150-200MeV, confining quarks and gluons that were initially in a quasi-free state into hadrons. The study of this transition is important for understanding the evolution of the Universe, because depending of the manner in which this process took place, we can expect several types of consequences for the subsequent phases as well as different observable relics. In order to understand this process, we solved numerically the Euler equations in the frame of special relativity with a multi-dimensional numerical code developed during the work, based on the finite differences method with high order schemes. We used spatial reconstruction methods in the characteristic space up to seventh order, three different flux-split and Runge-Kutta schemes of high stability of third and fourth order for time evolution. To implement the multidimensional case, we use the dimensionally unsplit method. Most of previous studies on this topic were based on the assumption of a first order transition. Several studies focused on a semi-analytical analysis of the nucleation, growth and collision of bubbles and their relation to the generation of gravitational waves. In these works it was conjectured that the turbulence created by such mechanisms would have a Komolgorov slope, or some variation of it, and from it the gravitational radiation was estimated. However results obtained in large heavy ion collision experiments at RHIC and LHC, whose conditions have some similarities to those expected in the Early Universe, and calculations made by the Wuppertal-Budapest collaboration with Lattice QCD suggest that, with parameters from the standard cosmological model, the transition it is a crossover characterized by a smooth transformation between phases. In this scenario, no intrinsic mechanisms of the transition could transfer the energy to larger scales to produce and maintain turbulence in the fluid, thereby generating a different spectrum of previous work and therefore another evolution of the primordial plasma. Using statistical and spectral analysis, we study the dynamics of a primordial fluid passing through an analytic transition. We study the gravitational waves generated from the motion of a fluid with an initial state consisting of random distributions of temperature and velocity and compare the results with the sensitivity curve of the eLISA/NGO. We also investigate how the presence of the Kelvin-Helmholtz instability may have influenced the growth of perturbations and turbulence and analyze its consequences for the spectrum of gravitational radiation.