Esta tese compõe-se de contribuições à física das propriedades eletrônicas das heteroestruturas semicondutoras. São investigadas propriedades eletrônicas das duas hetero­estruturas básicas: o poço quântico e a super-rede. Considera-se o poço quântico dopado com impurezas rasas e estudam-se as suas propriedades eletrônicas nos regimes de poço fraca e altamente dopado. No caso de baixa densidade de impurezas é feita uma simulação Monte Carlo. É utilizado um modelo semi-clássico de band de impureza. A interação elétron-elétron é incluída de forma exata e são calculadas as seguintes propriedades do estado fundamental à temperatura zero: densidade de estados de uma partícula, distribuição de carga, energia de Fermi e distribuição do campo elétrico sobre os doadores neutros, todas em função do grau de compensação, da densidade de impurezas e da largura do poço. É observada uma. grande dependência com a compensação. Os resultados são explicados à luz da competição entre os efeitos de desordem e confinamento. É observada a ocorrência de Coulomb Gap característico de sistemas bidimensionais. Mostra-se que a. distribuição de carga possui largura e constante de decaimento determinados independentemente pela compensação e pela concentração de impurezas, respectivamente. Tais resultados são importantes para a caracterização de poços quânticos puros. No limite altamente dopado parte-se de um modelo light-binding desordenado e calcula­se a densidade de estados de uma partícula formada devido ao overlapping entre os estados localizados; utiliza-se o método de Matsubara e Toyosawa. para a obtenção da média sobre configurações. Discutem-se os efeitos da desordem diagonal introduzida pelo potencial de confinamento os quais são comparados com os da. desordem não-diagonal. São apresentados resultados para a densidade de estados em função do grau de confinamento e concentração de impurezas para poços e fios quânticos. Sâo estudadas as propriedades eletrônicas das super-redes sob campo magnético transversal à direção de crescimento. Mostra-se que esta configuração é ideal para o estudo das características básicas das super-redes: a estrutura de mini bandas e o tunelamento. Calculam-se as sub-bandas de condução utilizando a teoria de massa efetiva de muitas bandas. Introduz-se a idéia de massa efetiva renormalizada para barreiras semicondutoras. Comparam-se os resultados com dados experimentais de ressonância ciclotrônica. A ótima concordância obtida demonstra a grande importância e a utilidade do conceito de massa efetiva renormalizada para barreiras semicondutoras, que é uma maneira nova e simples de lidar com as soluções evanescentes. / This thesis is composed of contributions to the theory of electronic properties of semicon­ ductor heterostructures. Electronic properties of the basic two heterostructures (quantum well and superlattice) are investigated. A quantum well doped with shallow impurities is considered and its electronic properties are studied in both limits: lightly and heavily doped. In the first case a Monte Carlo simula­ tion technique is used. A semiclassical impurity band model is used . The electron-electron interaction is included exactly and properties of the ground state such as the density of single particle states, the charge distribution, the Fermi energy and the electric field di tribution on the neutra/ donors are calculated, all of them as a function of the degree of compensation, the impurity concentration and the width of the well. A great dependency with the compensation is observed. The results are explained by the competition between the effects of disorder and confinement. The existence of a Coulomb Gap is verified . The charge distribution is shown to have a width and decay rate given by the degree of compensation and impurity concentration, in this order. Such results are important to characterize pure quantum wells. On the heavily doped limit, a disordered tight-binding model is used and the density of states that is formed by the overlapping of localized states is calculated by using the method of Matsubara and Toyosawa for the configuration average. The diagonal disord er effect introduced by the confinement potential is considered and compared to that of the non­ diagonal disorder. Results of the density of states as a function of the degree of confinement and impurity concentration for quantum wells and wires are presented. The electronic propertie s of a superlattice under a magnetic field which is transversal to the growth direction are studied. Jt is shown that this configuration is id eal for the study of the basic characteristics of the superlattices: the subband structure and the tunneling. The conduction subbands are calculated by using the theory of many bands effective mass. The idea of renormalized effective mass for barriers is introduced. The obtained level spacings are compared with cyclotron resonance experimental data (infrared absorption). The good agreement obtained demonstrates the importance and usefulness of the renormalized effective mass, which is a new and simple way to handle evanescent waves.

To investigate quantum confinement effects on silicon (Si) light source electroluminescence (EL) properties like quantum efficiency, external power efficiency and spectral emission, thin Si finger junctions with nanometre-scale dimensions were designed and manufactured in a fully customized silicon-on-insulator (SOI) semiconductor production technology. Since commonly available photolithography is unusable to consistently define and align nanometre-scale line-widths accurately and electron-beam lithography (EBL) by itself is too time-expensive to expose complete wafers, the wafer manufacturing process employed a selective combination of photolithography and EBL. The SOI wafers were manufactured in the clean-rooms of both the Carl and Emily Fuchs Institute for Microelectronics (CEFIM) at the University of Pretoria (UP) and the Georgia Institute of Technology’s Microelectronic Research Centre (MiRC), which made a JEOL JBX-9300FS electron-beam pattern generator (EPG) available. As far as is known this was the first project in South Africa (and possibly at the MiRC) that employed EBL to define functional nanometre-scale semiconductor devices. Since no standard process recipe could be employed, the complete design and manufacturing process was based on self-obtained equipment characterization data and material properties. The manufacturing process was unprecedented in both the CEFIM and MiRC clean-rooms. The manufacture of nanometre-scale Si finger junctions not only approached the manufacturing limits of the employed processing machinery, but also had to overcome undesirable physical effects that in larger-scale semiconductor manufacture usually are negligible. The device design, mask layout and manufacturing process therefore had to incorporate various material, equipment limitation and physical phenomena like impurity redistribution occurring during the physical manufacturing process. Although the complicated manufacturing process allowed many unexpected problems to occur, it was expected that at least the simple junction breakdown devices be functional and capable of delivering data regarding quantum confinement effects. Although due to design and processing oversights only 29 out of 505 measured SOI light sources were useful light emitters, the design and manufacture of the SOI light sources was successful in the sense that enough SOI light sources were available to conduct useful optical characterization measurements. In spite of the fact that the functional light sources did not achieve the desired horizontal (width) confinement, measured optical spectra of certain devices indicate that vertical (thickness) confinement had been achieved. All spectrometer-measured thickness-confined SOI light sources displayed a pronounced optical power for 600 nm < λ < 1 μm. The SOI light source with the highest optical power output emitted about 8 times more optical power around λ = 850 nm than a 0.35 μm bulk-CMOS avalanche light-source operating at the same current. Possible explanations for this effect are given. It was shown that the buried oxide (BOX) layer in a SOI process could be used to reflect about 25 % of the light that would usually be lost to downward radiation back up, thereby increasing the external power efficiency of SOI light sources. This document elaborates on the technical objectives, approach, chip and process design, physical wafer manufacture, production process control and measurement of the nanometre-scale SOI light sources. Copyright / Dissertation (MEng)--University of Pretoria, 2010. / Electrical, Electronic and Computer Engineering / unrestricted

Ce travail vise à étudier un procédé de traitement d'eaux usées industrielles par cristallisation en milieu fondu sur paroi froide. Deux effluents modèles sont choisis : un mélange eau/acétone et un mélange eau/acide propanoïque. Dans un premier temps, l'équilibre solide-liquide du mélange est étudié pour connaitre les limites de l'étude en température et en concentration. Le procédé de traitement de l'eau est alors conduit, selon un mode opératoire précis. Deux modes de fonctionnement sont mis en œuvre, un mode statique et un mode dynamique avec une circulation en boucle de la solution. La concentration en impuretés dans la glace est analysée après chaque cycle de congélation. L'étude paramétrique, conduite suivant un plan d'expériences, a mis en avant les effets importants de la concentration initiale de la solution et de la rampe de refroidissement. La microstructure de la glace est également analysée par microscopie en chambre froide pour interpréter les mécanismes d'incorporation d'impuretés au sein de la glace. Les inclusions de liquide sont sous la forme de poches de solution à faible vitesse de croissance et sont localisées dans les joints de grain à plus forte vitesse. Enfin, la modélisation du procédé fonctionnant en mode statique, par les éléments finis et en 2D axisymétrique avec frontière mobile, montre la présence de mouvements de convection. En mode dynamique, l'hydrodynamique de l'écoulement dans l'espace annulaire est décrite par une modélisation 3D prenant en compte la position de l'entrée et de la sortie. Les résultats démontrent la faisabilité du procédé et permettent des avancées significatives dans la compréhension des phénomènes mis en jeu / This work aims to study a process of industrial wastewater treatment by melt crystallization on a cold wall. Two effluent model solutions are chosen: water/acetone and water/propionic acid binary mixtures. First, the solid liquid phase diagrams are determined experimentally in order to delimit the operating range of temperature and concentration. Then, a parametric study of the wastewater treatment process by freezing is performed, by means of an experimental design, for two working modes, static mode and dynamic mode by adding a recirculation loop, respectively. The impurity concentration in the ice is analyzed after each freezing cycle. The process requires applying very precise conditions and the ice concentration mainly depends on the initial solution concentration and on the applied cooling rate. The ice microstructure is also characterized by optical microscopy in a cold chamber and gives insights into the mechanism of impurity incorporation: the liquid inclusions are localized under the form of solution pockets at low growth rate or between the polycrystals at higher growth rate. Lastly, 2D axisymmetric modelling of the process in static mode, based on finite elements and taking into account the moving boundary, shows the presence of buoyancy loops in relation with the density dependence of the solution with temperature. In dynamic mode, the hydrodynamics in the annular space is described by a 3D model to account for the positions of the inlet and outlet pipes. All the results demonstrate the process feasibility and allow better understanding of the occurring phenomena

L’amélioration des performances du transistor MOS passe par la réduction de ses dimensions. Dans quelques années, la longueur de grille des dispositifs va descendre en dessous de 10 nm. A cette échelle, les effets quantiques deviennent prépondérants et dégradent considérablement les performances électriques des transistors à simple grille. Le transistor à nanofil avec grille enrobante est une architecture alternative intéressante pour augmenter le contrôle électrostatique du canal de conduction. Malgré les améliorations apportées par cette architecture, le courant à l’état bloqué reste perturbé par l’effet tunnel dans la direction source-drain. Afin de réduire ce courant sans réduire celui à l’état passant, nous avons étudié l’impact d’un rétrécissement local de la section transverse du canal coté drain (architecture notch-MOSFET). Pour cela, nous avons développé un simulateur 3D basé sur le formalisme des fonctions de Green hors équilibre couplé de façon auto-cohérente avec l’équation de Poisson. Ces calculs sont effectués dans l’approximation de la masse effective. Nous avons ensuite étudié le transport des trous dans les transistors à nanofil de type p, ainsi que l’influence d’une impureté ionisée dans le canal de ces dispositifs. La complexité de la bande de valence a nécessité la mise en œuvre d’un modèle k&#8729;p à 6 bandes inclus dans le simulateur 3D évoqué précédemment. / Performances improvement of MOS transistors involves reduction of its dimensions. In a few years, the gate length of devices will reach sub-10 nm regime. At this scale, quantum effects become preponderant and considerably degrade electric performances of simple-gate transistors. The Gate-all-around nanowire transistor is an interesting alternative architecture to improve electrostatic control of the conduction channel. Despite the improvements made thanks to this architecture, the OFF-current remains disturbed by tunneling effect in source-drain direction. In order to decrease this current without decreasing the ON-current, we have studied the impact of local narrowing of transverse cross-section in drain side of the channel (notch-MOSFET architecture). To this purpose, we have developed a 3D simulator based on Non-equilibrium Green function formalism coupled self-consistently with Poisson equation. These simulations are performed in the effective mass approximation. Then we have studied holes transport in p-type nanowire transistors and the influence of an ionized impurity in the channel of these devices. The valence band complexity required six-band k&#8729;p model development include into previously mentioned 3D simulator.

The current work is an intellectual history of how blood permeated early modern Spaniards' conceptions of morality and purity. This paper examines Spanish intellectuals' references to blood in their medical, theological, demonological, and historical works. Through these excerpts, this thesis demonstrates how this language of blood played a role in buttressing the church's conception of good morals. This, in turn, will show that blood was used as a way to persecute Jews and Muslims, and ultimately define the early modern Spanish identity.

The usage of more inexpensive silicon feedstock for the crystallization of multicrystalline silicon blocks promises cost reduction for the photovoltaic industry. Less expensive substrates made out of metallurgical silicon (MG-Si) are used as a mechanical support for the epitaxial solar cell. Moreover, conventional inert solar cells can be produced from up-graded metallurgical silicon (UMG-Si). This feedstock has higher content of impurities which influences cell performance and mechanical strength of the wafers. Thus, it is of importance to know these effects in order to know which impurities should be preferentially removed or prevented during the crystallization process. Solar cell processing steps can also exert a change in the values of mechanical strength of processed multicrystalline silicon wafers until the fabrication of a solar cell. Bending tests, fracture toughness and dynamic elastic modulus measurements are performed in this work in order to research the mechanical behavior of multicrystalline silicon crystallized with different qualities of silicon feedstock. Bending tests and residual stress measurements allows the quantification of the mechanical strength of the wafers after every solar cell processing step. The experimental results are compared with theoretical models found in the classical literature about the mechanical properties of ceramics. The influence of second phase particles and thermal processes on the mechanical strength of silicon wafers can be predicted and analyzed with the theoretical models. Metals like Al and Cu can decrease the mechanical strength due to micro-cracking of the silicon matrix and introduction of high values of thermal residual stress. Additionally, amorphous silicon oxide particles (SiOx) lower the mechanical strength of multicrystalline silicon due to thermal residual stresses and elastic mismatch with silicon. Silicon nitride particles (Si3N4) reduce fracture toughness and cause failure by radial cracking in its surroundings due to its thermal mismatch with silicon. Finally, silicon carbide (SiC) and crystalline silicon oxide (SiOx) introduce thermal residual stresses but can have a toughening effect on the silicon matrix and hence, increase the mechanical strength of silicon wafers if the particles are smaller than a certain size. The surface of as-cut wafers after multi-wire sawing presents sharp micro-cracks that control their mechanical behavior. Subsequent removal of these micro-cracks by texture or damage etching approximately doubles the mechanical strength of silicon wafers. The mechanical behavior of the wafers is then governed by defects like cracks and particles formed during the crystallization of multicrystalline silicon blocks. Further thermal processing steps have a minor impact on the mechanical strength of the wafers compared to as-cut wafers. Finally, the mechanical strength of final solar cells is comparable to the mechanical strength of as-cut wafers due to the high residual thermal stress introduced after the formation of the metallic contacts which makes silicon prone to crack.

In the first two chapters we presented the basics of density functional theory and semiempirical LSD+U approximation, which was implemented in the full-potential local-orbital (FPLO) minimal-basis calculation scheme. In the third chapter we tested the implemented version of LSDA+U on 3d transitional metal monoxides. Essential improvement of the spectroscopic properties was obtained. A simple model describing the value and direction of the magnetic moment of a transition metal ion was presented. The model visualizes the interplay of the spin-orbit coupling and crystal field splitting. In the fourth chapter we calculated the electronic spectrum of the single Zn impurity in CuO2 plane considered as a vacancy in Cu 3d states. The analytic solution for the states of different symmetry was obtained. Depending on the strength of perturbation induced by the impurity on the neighboring Cu ions, the states are either resonant or localized. The critical values of the perturbation were computed. In the fifth chapter we presented the calculations for three novel vanadates: MgVO3, Sb2O2VO3 and VOMoO4. The tight-binding parameters and the exchange integrals were computed. The magnesium and antimony vanadates appeared to be spin-½ one-dimensional systems, the latter having much stronger one-dimensional character and being probably the best realization of inorganic spin-Peierls system. The molybdenum vanadate was found to be two-dimensional spin-½ system. The Mo 4d orbitals play an important role in the electronic transfer.

Ce mémoire porte sur l’impureté dans la religion grecque et plus particulièrement sur le miasme causé par des évènements relevant de la vie intime. L’objectif de cette étude est de dresser un portrait complet de la vie intime par l’analyse des inscriptions religieuses et des documents littéraires. L’analyse de ces sources permet de dégager les modalités d’accès au temple et les processus purificatoires nécessaires pour recouvrer son état de pureté. De cet objectif en découle un second : formuler une théorie explicative sur l’origine de l’impureté en Grèce ancienne qui s’éloigne des théories interprétatives traditionnelles en misant davantage sur l’apport des sciences cognitives et la psychologie sociale à cette question. Divisée en quatre chapitres, la recherche porte d’abord sur l’impureté liée aux menstruations, un évènement profondément intime et peu étudié en raison de tabous modernes persistants. Le deuxième chapitre s’attarde quant à lui à l’impureté des relations sexuelles. Plus spécifiquement, cette deuxième section analyse les différences entre le miasme causé par des relations entre époux et par des relations extraconjugales. Le troisième chapitre du mémoire porte sur les évènements liés à la maternité, soit l’accouchement, l’avortement, la fausse-couche et l’allaitement. La mise en juxtaposition de plusieurs cas d’impureté permet de relever certaines tendances ou similarités. Finalement, le quatrième chapitre de cette étude consiste en l’exploration des théories biologiques et cognitives pouvant expliquer l’origine de l’impureté en Grèce ancienne. Cet ultime chapitre permet de conclure que l’impureté relève en partie de processus cognitifs et de réflexes qui ont été socialement renforcés par la religion grecque. / This master’s thesis concern impurity in Greek religion and more specifically the miasma related to the intimate life. The aim of this study is to provide a comprehensive portrait of intimate life through the analysis of religious inscriptions and literary documents. The examination of these sources allow the identification of the modalities for entering the temple and the processes necessary to regain its state of purity. This first objective leads to a second: I aim to formulate an explanatory theory on the origin of impurity in ancient Greece that departs from the traditional and interpretative theories by taking into account the contribution of cognitive science and social psychology to this question. Divided into four chapters, the research first focuses on the impurity of menstruation, a deeply intimate event and little studied due to persistent modern taboos. The second chapter dwells on the impurity of sexual relations. More specifically, this second section analyzes the differences between the miasma caused by relationships between spouses and by extramarital relationships. The third chapter deals with events related to motherhood, namely childbirth, abortion, miscarriage and breastfeeding. The juxtaposition of several types of impurity allow the identification of certain trends or similarities. Finally, the fourth chapter consists of the exploration of the biological and cognitive theories that could explain the origin of impurity in Ancient Greece. This final chapter seek to conclude that impurity is partly due to cognitive processes and reflexes which have been socially reinforced by the Greek religion.

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A study combining infrared (IR) absorption spectroscopy and first-principles theory is presented for a sulfur–oxygen complex in CdSe characterized by IR absorption lines located at 1094, 1107, and 1126 cm-1 (10 K). The properties of the center are compared to a similar species occurring in CdTe that gives rise to two absorption lines at 1097 and 1108 cm-1 (10 K). Temperature- and polarization-sensitive measurements performed on 18O-enriched samples reveal that for both materials the IR absorption lines are due to split ν3 stretch vibrations of a distorted sulfate (SO4) tetrahedron, whereby the local point group of the SO4 complex is reduced to Cs and C3v in hexagonal CdSe and cubic CdTe, respectively. Measurements on the vibrational spectrum of the sulfate species in the spectral range of symmetric stretch (ν1), bend (ν4), and combinationmodes (ν1 þ ν3) are presented. The cation vacancy VCd is discussed as a likely site occupied by SO4 in CdSe.