Orientador: Edison Zacarias da Silva / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-08-12T21:28:51Z (GMT). No. of bitstreams: 1 Pereira_ZennerSilva_M.pdf: 20162945 bytes, checksum: d21814c79148ec7f736ed05982bdddfc (MD5) Previous issue date: 2009 / Resumo: Nós apresentamos nesse trabalho dois assuntos relevantes na atualidade:Crescimento de filmes finos metálicos e nanoindentação.Estudamos esses sistemas utilizando dinâmica molecular com potenciais empíricos. Nós mostramos que é possível modelar o crescimento epitaxial utilizando potenciais adequados e uma específica metodologia de deposição. No crescimento de filmes finos estudamos três sistemas utilizando o potencial EAM:Cu/Ag(001),Cu/Au(001) e Pd/Au(001). Para Cu sobre Au e Cu sobre Ag obtivemos resultados de acordo com experimentos anteriores. Enfatizamos que a temperatura e a espessura do filme depositado estão relacionadas com as estruturas apresentadas durante o crescimento. Mostramos que a princípio o filme cresce sob stress numa fase instável bcc, porém ao atingir uma espessura crítica relaxa numa estrutura bct. Então, após a relaxação o filme apresenta um padrão de deformação (stripes). A Relação entre temperatura espessura e porcentagem de átomos nucleados bcc foi quantificada num gráfico. Para o caso Pd sobre Au mostramos que o crescimento resultou num padrão de deformação após atingir 11 camadas. Analisamos as estruturas e indentificamos defeitos tipo "falhas de empilhamento ". Para a modelagem de sistemas semicondutores nós utilizamos o potencial de Terso ..Com um indentador esférico de diamante indentamos uma superfície de silício.Um gráfico de deslocamento do indentador em função da pressão é apresentado. Analisamos o número de coordenação dos átomos de silício quando o indentador atingiu certos valores de pressão. / Abstract: In this work we present two important and current subjects:Metalic thin .lms and nanoindentation. We studied these systems using molecular dynamics with empirical potentials. We showed that it is possible to model the epitaxial growth using a suitable potential and a specific methodology for deposition.Concerning the growth of thin films,we studied three systems using EAM potential:Cu/Ag(001),Cu/Au(001)and Pd/Au(001).For Cu on Au and Cu on Ag,our results are in agreement with previous experiments. We stress that the existence of a bcc and bcc/bct are related to temperature and thickness of the deposited film. We showed that during the deposition of the first few layers,the film grows under stress to form an unstable bcc phase,but after a critical thickness it relaxes in a bct structure.Then,when the film is relaxed it presentes a deformation pattern (stripes). The relationships between temperature,thickness and formed structures are presented. For the case of Pd on Au the growth resulted in a deformation pattern after we deposited 11 mono-layers. We analysed the structures and found defect types known as stacking faults. To model semiconductors systems we used the Tersoff potential. We indented a surface of silicon with a spheric indenter of diamond.A graph of dislocation as function of pressure for the indenter is presented. We analysed the coordination number of silicon atoms when the indenter reached specific values of pressure. / Mestrado / Física da Matéria Condensada / Mestre em Física

Kyoto University (京都大学) / 0048 / 新制・論文博士 / 博士(工学) / 乙第12695号 / 論工博第4084号 / 新制||工||1555(附属図書館) / 29947 / (主査）教授 平尾 一之, 教授 田中 勝久, 教授 三浦 清貴 / 学位規則第4条第2項該当

Avec les besoins croissants en enregistrement magnétique à haute densité, un effort important a été apporté à la fabrication et au contrôle des nanoalliages magnétiques. En effet les alliages magnétiques possèdent des propriétés beaucoup plus intéressantes que les métaux purs, en particulier les alliages chimiquement ordonnés (par exemple une forte anisotropie magnétique). Quand ces alliages se retrouvent à l'échelle du nanomètre, leurs propriétés peuvent de plus être exaltées ou fortement modifiées. Ces dix dernières années, une grande attention s'est tournée sur les remarquables propriétés magnétiques de l'alliage ordonné FeRh, d'un point de vue tant fondamental que technologique. En effet l'alliage FeRh présente, dans une étroite gamme de composition proche de l'équiatomique, une transition magnétique d'un état antiferromagnétique (AFM) vers un état ferromagnétique (FM). Cette transition est observée, dans l'alliage massif, à une température proche de 370K, soit au-dessus de la température ambiante. Cet alliage est de ce fait un excellent candidat pour l'enregistrement magnétique assisté thermiquement ainsi que pour la microélectronique. Le travail présenté est centré sur l'élaboration et l'étude de nanostructures de FeRh de différentes morphologies. Toutes les nanostructures ont été élaborées par voie physique dans un bâti ultra-vide de pulvérisation cathodique. Une attention particulière s'est portée sur l'évolution des caractéristiques structurales, et dans certains cas magnétiques, des nanostructures, en fonction de leur taille et des paramètres d'élaboration. Deux types de nanostructures ont été étudiés : des films minces épitaxiés sur un substrat cristallin de MgO (001) et des nanoparticules élaborées dans une matrice d'alumine amorphe. L'évolution des caractéristiques morphologique, chimique et structurale a été analysée par diffraction des rayons X et par microscopie électronique en transmission et spectroscopies associées. Les propriétés magnétiques ont été étudiées macroscopiquement par magnétométrie à échantillon vibrant (VSM) et in-situ dans un microscope par holographie électronique. / With the increasing demand for ultra-high density magnetic recording, an important effort was put on fabrication and control of magnetic nanoalloys. Indeed, magnetic alloys possess much more interesting properties than magnetic pure metals in particular chemically ordered alloys (higher magnetic anisotropy). When these alloys have a nanometer size, their properties may change significantly. In the last decade, much attention has been paid to the remarkable magnetic properties of the FeRh ordered alloy, for both fundamental and technological issues. Indeed, the FeRh alloy presents, in a very narrow range of composition close to the equiatomic one, a magnetic transition from antiferromagnetic (AFM) to ferromagnetic (FM) state. This transition takes place at a temperature close to 370K in the bulk, i.e. slightly higher than room temperature, which make with alloy particularly attractive for applications as heat-assisted magnetic recording or for microelectronics. The present work focuses on the fabrication and study of FeRh nanostructures with different morphologies. All the nanostructures were grown by dc magnetron sputtering in an ultra-high vacuum chamber. Particular attention was paid to the evolution of the structural, and eventually magnetic, characteristics of the nanostructures as the function of their size and the growth conditions. Two types of nanostructures were studied: thin films epitaxially grown on MgO (001) and nanoparticles embedded in an amorphous alumina matrix. The evolution of the morphological chemical and structural characteristics was analyzed by high-angle X-ray diffraction (XRD) and by transmission electron microscopy (TEM) and associated spectroscopies. Magnetic properties were studied by vibrating sample magnetometer and in-situ in a microscope by electronic holography.

No description available.

The goal of this thesis is to present the design and development of a chemical vapor deposition reactor for the growth of high quality homoepitaxy silicon carbide films for electronic device applications. The work was performed in the Nanomaterials and Nanomanufacturing Research Center at the University of South Florida from 8/2001-5/2003. Chemical vapor deposition (CVD) is the technique of choice for SiC epitaxial growth. Epitaxial layers are the building blocks for use in various semiconductor device applications. This thesis reports on a SiC epitaxy process where a carrier gas (hydrogen) is saturated with reactive precursors (silane and propane) which are then delivered to a semiconductor substrate resting on a RF induction heated SiC coated graphite susceptor. Growth proceeds via a series of heterogeneous chemical reactions with several steps, including precursor adsorption, surface diffusion and desorbtion of volatile by-products. The design and development of a reactor to make this process controlled and repeatable can be accomplished using theoretical and empirical tools. Fluid flow modeling, reactor sizing, low-pressure pumping and control are engineering concepts that were explored. Work on the design and development of an atmospheric pressure cold-wall CVD (APCVD) reactor will be presented. A detailed discussion of modifications to this reactor to permit hot-wall, low-pressure CVD (LPCVD) operation will then be presented. The consequences of this process variable change will be discussed as well as the necessary design parameters. Computational fluid dynamic (CFD) calculations, which predict the flow patterns of gases in the reaction tube, will be presented. Feasible CVD reactor design that results in laminar fluid flow control is a function of the prior mentioned techniques and will be presented.

No / This study investigates the influence of length scale effects (micro- and macro-injection molded parts) and mold temperature on the epitaxial growth and morphological characteristics in injection-molded bars of isotactic polypropylene (iPP)/high-density polyethylene (HDPE) blends. After preparing the blends with an iPP content of 70 wt% via melt extrusion, the injection-molded bars were formed using both micro and conventional injection molding. Samples were subsequently prepared from the moulded components to allow investigation of the internal morphology using wide-angle X-ray diffraction (WAXD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and polarized light microscopy (PLM). The results indicated that the matching of micro scale and appropriate mold temperature was most favorable for epitaxial crystallization. The micro-parts had a large fraction of shear layer compared with macro-parts. The SEM observations showed that the shear layer of the former consisted of a highly oriented shish-kebab structure. Moreover, the effects of different methods of injection molding on the morphological characteristics of the micro-parts and macro-parts in different layers were elucidated in detail using PLM and SEM.

With the low-temperature halo-carbon epitaxial growth technique developed at MSU prior to this work, use of a halo-carbon growth precursor enabled low-temperature homoepitaxial process for 4H-SiC at temperatures below 1300 °C with good quality. Investigations of the nitrogen doping dependence are reported. It has been demonstrated that the efficiency of the nitrogen incorporation may be different for different substrate orientations, with the Cace showing the higher value of doping. The Si/C ratio is known to influence the doping during the epitaxial growth due to the site-competition mechanism. The doping on the Cace showed weak dependence on the Si/C ratio. On the Siace, the doping dependence follows the site-competition trend. At high Si/C ratio, the doping trend on Siace shows strong deviation. Both of the investigated trends are suggested for use as the main process dependencies for achieving a wide range of n type doping of SiC during the low-temperature halo-carbon homoepitaxial process.

<p> The work described in this thesis is devoted to the application of defect engineering in the development of silicon photonic devices. The thesis is divided into simulation and experimental portions, each focusing on a different form of defect engineered silicon: ion implantation induced amorphous silicon and solid-phase epitaxial regrowth suppressed polycrystalline silicon.</p> <p> The simulations are directed at silicon rib waveguide Raman laser applications. It is shown that a uniform, divacancy defect concentration will not enhance Raman gain. The excess optical loss and free carrier lifetime of rib waveguides with remote amorphous silicon volumes were simulated. Net gain was demonstrated depending on the geometry of the structure. For a waveguide structure with rib width, rib height and slab height of W = 1.5, H = 1.5 and h = 0.8 μm respectively, the optimal separation between the edge of the rib and the amorphous region is ~2.0 μm. Surface recombination velocity modification was shown to be an effective means to reduce free carrier lifetime.</p> <p> Experimental work was devoted to the characterization of a novel form of polycrystalline silicon created by amorphizing the entire silicon overlayer of a silicon-on-insulator wafer. Solid-phase epitaxial regrowth of the amorphous silicon is suppressed upon annealing due to the lack of a crystal seed and results in polycrystalline silicon. This material was characterized with ellipsometry, positron annihilation spectroscopy and x-ray diffraction. The material properties are shown to be heavily dependent on the annealing conditions. Ellipsometry showed that the refractive index at 1550 nm is comparable to crystalline silicon. Positron annihilation spectroscopy showed that the polycrystalline material exhibits a high concentration of vacancy-type defects while vertically regrown crystalline silicon does not. X-ray diffraction showed that the polycrystalline silicon is non-textured, strained in tension and is characterized by grain sizes less than 300 nm.</p> <p> Defect etching and optical measurements using a waveguide geometry were performed in order to characterize the lateral regrowth and the optical loss of the polycrystalline material. Lateral regrowth in the [011] direction was 1.53 and 0.96 μm for 10 minute anneals at 750 and 900 °C respectively, and at least 2.5 μm at 650 °C. Waveguide optical loss measurements with adjacent polycrystalline regions separated from the rib by at least 5.5 μm showed no separation dependence. The intrinsic optical loss of the polycrystalline material was estimated to be 1.05 and 1.57 dB/cm for TM and TE polarizations after a 900 °C anneal. Vertically regrown c-Si was shown to exhibit less than 3.0 dB/cm optical loss after annealing at 550 °C .</p> / Thesis / Master of Applied Science (MASc)

Microstructural data on the orientation and distribution of minerals can be utilized to better understand the processes controlling mineral crystallization during metamorphism and the extent to which equilibrium versus kinetic factors control the evolution of metamorphic rocks. Four studies in this dissertation address this, finding that: i) garnet crystals crystallize via epitaxial nucleation in which garnet crystallizes by templating on the crystal structure of muscovite; ii) the distribution of grain boundary void space at quartz-quartz and garnet-quartz grain boundaries is a function of the orientation of quartz crystals on either side of the grain boundary. There are more voids, and in some cases larger voids, at grain boundaries in which the a-axis of a neighboring quartz grain is perpendicular to the grain boundary than any other orientation; iii) the chemical potentials of garnet-forming components evolve differently in samples in which garnet growth either significantly or minimally overstepped equilibrium garnet-forming reactions; iv) the southwestern Meguma Terrane, Nova Scotia, experienced peak metamorphic conditions of ~630ºC and 4.0 kbar, likely resulting from regional metamorphism during the Neoacadian orogeny. A case study on the mechanisms controlling garnet crystallization in one Nova Scotian sample reveals that the rate limiting step of garnet crystallization was probably the diffusional transport of Al through the intergranular matrix. Taken together, this work has implications for understanding: i) the properties of grain boundaries in metamorphic rocks and ii) the extent to which equilibrium versus kinetic factors impact metamorphic petrogenesis. / Doctor of Philosophy / A fundamental question in the development of metamorphic rocks, or rocks that form due to changes in pressure and temperature conditions deep in the Earth's mountain belts, is: what controls the crystallization of new minerals? While pressure, temperature, and bulk composition likely play a major role in this, it is also possible that the distribution of reactant minerals and the transport of elements through the rock may also play a role in mineral crystallization. This dissertation explores several projects related to this broad topic. In one example, garnet, an important metamorphic mineral, was found to crystallize by utilizing the atomic structure of another mineral in the rock. This creates a favorable pathway for the crystallization of garnet, which preferentially grows on this 'parent' mineral. Further, the distribution of porosity, or void space, at the interfaces between mineral grains in metamorphic rocks is found to be controlled by the orientation of those minerals. This porosity likely formed when the rocks were exhumed from deep in the Earth towards its surface. Metamorphic rocks can also tell the story of continental plates colliding millions of years ago. In an example from the formation of the Appalachian Mountains ~400 million years ago, a combination of collisional tectonic forces and the heat from magmas in the shallow crust resulted in metamorphic rock, which make up much of southern Nova Scotia today. This work has important implications for understanding: i) porosity in metamorphic rocks and ii) how minerals crystallize during metamorphism.

[pt] Se faz um estudo detalhado sobre o crescimento de GaInNAs pela técnica de metalorganic vapor phase epitaxy (MOVPE) com o objetivo de diminuir a contaminação residual do carbono no material. Para isso se pesquisa a influência dos precursores assim como dos diferentes parâmetros de crescimento na morfologia, na contaminação residual e na incorporação de diferentes elementos nos materiais. A temperatura, a taxa de crescimento, a razão As/III, o conteúdo do nitrogênio e os diferentes precursores são os parâmetros alterados de uma amostra para a outra. Como alguns precursores não foram usados antes para este material semicondutor, inicialmente apenas o GaAs foi examinado, passando posteriormente aos materiais ternários GaInAs e GaNAs, para finalmente obter o GaInNAs. Através da caracterização das amostras obtém-se a qualidade dos materiais assim como a contaminação residual do carbono. São utilizadas técnicas de difração de raios-X de alta resolução (HR-XRD), microscopia de força atômica (AFM), perfil eletroquímico de capacitância-tensão (ECV), espectrometria de massa de íons secundários (SIMS), fotoluminescência (PL) e técnicas in-situ próprias do reator MOVPE para avaliar o efeito dos parâmetros de crescimento epitaxial sobre a qualidade das estruturas obtidas, assim como sobre a incorporação dos diferentes elementos nos materiais. O crescimento do GaInNAs no reator CRIUS foi bem sucedido com algumas combinações dos precursores. Se confirmou que o alto nível do carbono está relacionado à quantidade do nitrogênio no cristal e que o carbono é fornecido pelos grupos metil dos precursores, principalmente pelo TMGa, seguido do TMIn. Todas as medidas para reduzir a incorporação residual do carbono foram bem sucedidas. O uso de precursores do grupo III sem grupo metil reduz significativamente a dopagem residual do carbono. Finalmente foram crescidas células solares para avaliar o material no dispositivo. / [en] A detailed investigation the GaInNAs growth by metalorganc vapor phase epitaxy (MOVPE) is performed in order to reduce the carbon background in the material. For this, the precursors , as well as the different growth parameters influence on crystal morphology, carbon background and the incorporation of different elements on the semiconductor material, are investigated. The temperature, the growth rate, the As/III ratio, the nitrogen content, and the different precursors were varied from one sample to another. Particularly, since some precursors were never used for this semiconductor material, initially, only GaAs was examined, later the GaInAs and the GaNAs ternary materials were grown, to finally obtain the GaInNAs. The samples characterization was used to assess materials quality, as well as the carbon background incorporation. Different characterization techniques such as High-Resolution X-Ray Diffraction (HR-XRD), Atomic Force Microscopy (AFM), Electrochemical Capacitance-Voltage (ECV) and In-Situ measurements were used to evaluate the effect of the epitaxial growth parameters on the quality of the obtained structures, as well as on the different elements incorporation in the semiconductor material. GaInNAs was successfully grown in the MOVPE reactor with particular precursors combinations. The relation between the high carbon level and the nitrogen amount in the crystal was confirmed, as well as the fact that carbon is supplied by methyl-groups of the precursors, especially TMGa, followed by TMIn. All measures to reduce carbon background incorporation were successful. The use of methyl group free III precursors significantly reduces the carbon background incorporation. Finally, solar cells were grown to evaluate the material in the device.