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Orientador: Lisandro Pavie Cardoso / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Física Gleb Wataghin / Made available in DSpace on 2018-08-30T18:16:34Z (GMT). No. of bitstreams: 1 Freitas_HugoEugeniode_M.pdf: 2201633 bytes, checksum: 992e7c3d4fcb71e7f0d75a25eba2bb39 (MD5) Previous issue date: 2016 / Resumo: No presente trabalho estudou-se a diferença entre dois tratamentos térmicos realizados em amostras de Si(111) implantadas com íons Cr+, utilizando-se a difratometria de raios X para policristais e a refletividade de raios X, assim como, curvas de rocking e difração múltipla de raios X usando radiação sincrotron que são aplicadas aos monocristais. O tratamento térmico posterior das amostras resulta numa melhoria da qualidade cristalina, mas leva à formação de trincas e extensos defeitos, devido à grande diferença na expansão térmica entre siliceto e silício pelas altas tensões induzidas. Portanto, há um grande interesse tecnológico na obtenção de camadas contínuas de alta qualidade com um mínimo de distorções induzidas no substrato. Esta é a motivação do presente trabalho: obter camadas finas de CrSi2 de alta qualidade cristalina na subsuperfície de substratos Si(111) e com o mínimo de deformações na matriz hospedeira usando implantação de íons a baixa energia. Serão explorados dois distintos tipos de tratamentos térmicos: o recozimento tradicional a vácuo em forno do tipo mufla (FA - furnace annealing) e o recozimento térmico rápido (RTA - rapid thermal annealing) em atmosfera de argônio. A formação da fase semicondutora hexagonal do CrSi2 foi confirmada por difratometria de raios X nas amostras tratadas termicamente e mostrou uma melhor qualidade cristalina obtida no recozimento FA. O modelo proposto de uma camada superficial de SiO2 fina (8?2) nm sobre uma ou duas camadas de CrSi2 (21?5) nm acima do substrato de Si(111) foi confirmado, a partir das medidas de refletividade de raios X, que também permitiu observar a maior difusão dos íons de Cr+ na amostra tratada com FA por maior tempo. Devido a este tratamento térmico promover, a altas temperaturas, uma maior difusão dos íons implantados, concluiu-se que o tratamento térmico mais propício para a fabricação de semicondutores baseados em CrSi2 é o tratamento por RTA. Varreduras Renninger obtidas da difração múltipla de raios X mostraram que a implantação de Cr+ em Si(111) e posterior recozimento não induz alteração de simetria nas amostras, apenas uma pequena relaxação da distorção tetragonal detectada para a amostra 800º C com tratamento FA. Mapeamentos acoplados dos ângulos de incidência (?) e azimutal (?) para a condição exata de reflexões secundárias Bragg-Superfície (BSD) da difração múltipla não permitiram detectar modificações estruturais de superfície nas amostras analisadas, após os dois tratamentos térmicos a 800º C que foram considerados / Abstract: In this work, the effect of the two heat treatments suffered by Si(111) samples implanted with Cr+ ions has been studied by means of X rays powder diffraction and X rays reflectivity, as well as, the single crystal techniques rocking curves and synchrotron X rays multiple diffraction. The heat treatment of the samples subsequent to the implantation results in an improved crystal quality, but leads to cracks formation and extensive damage due to the large difference between the thermal expansion coefficients of silicide and silicon induced by the applied high voltages. Therefore, there is a great technological interest in obtaining high quality continuous layers with a minimum induced distortion into the substrate. This is the motivation of the present work: to obtain CrSi2 thin layers of high crystalline quality in the subsurface of Si(111) substrates with minimal deformations in the host matrix using low energy ion implantation. Two distinct thermal treatments are analyzed: traditional annealing in vacuum oven muffle type (FA - furnace annealing) and rapid thermal annealing (RTA - rapid thermal annealing) in argon atmosphere. The formation of the semiconductor CrSi2 hexagonal phase was confirmed by X ray powder diffraction in the annealed samples that has also shown an improved crystalline quality observed in FA annealing process. The proposed model of a thin (8?2) nm SiO2 surface layer on top of one or two (21?5) nm thick CrSi2 layers above the Si(111) substrate was confirmed from the X ray reflectivity measurements, that has also allowed to observe further diffusion of Cr + ions into the sample implanted and FA annealed for a longer time. Since this heat treatment promotes, at high temperatures, a greater diffusion of the implanted ions, it was found that RTA is the most suitable treatment for the fabrication of semiconductor-based CrSi2. Renninger scans of the X ray Multiple Diffraction have shown that the Cr+ ions implantation in Si(111) process with a subsequent annealing does not induce symmetry change in the samples, just a small relaxation of the tetragonal distortion detected for the 800 ºC sample after FA treatment. Mappings of the incidence (?) and azimuthal (?) coupled angles monitoring the exact multiple diffraction condition for the Bragg-Surface Diffraction (BSD) secondary reflections were not able to detect structural changes along the analyzed samples surfaces, after the two distinct annealed processes considered at 800º C / Mestrado / Física / Mestre em Física / 132986/2014-0 / CNPQ

<p>In this thesis we study hybrid numerical methods to be used in computational electromagnetics. The purpose is to address a wide frequency range relative to a given geometry. We also focus on efficient and robust numerical algorithms for computing the so called Smooth Surface Diffraction predicted by Geometrical Theory of Diffraction (GTD). We restrict the presentation to frequency domain scattering problems.</p><p>The hybrid methods consist in combinations of Boundary Element Methods and asymptotic methods. Three hybrids will be presented. One of them has been developed from a theoretical idea to an industrial code. The two other hybrids will be presented mainly from a theoretical perspective.</p><p>To be able to compute the Smooth Surface Diffracted field we introduce a numerical method that is to be used with surface curvature sensitive meshing, complemented with auxiliary data taken from a geometry database. By using two geometry representations we can show first order convergence and we then achieve an efficient and robust numerical algorithm. This numerical algorithm may be an essential part of an GTD implementation which in its turn is a component in the hybrid methods.</p><p>As a background to our new techiniques we will also give short introductions to the Boundary Element Method and the Geometrical Theory of Diffraction from a theoretical and implementational point of view.</p>

In this thesis we study hybrid numerical methods to be used in computational electromagnetics. The purpose is to address a wide frequency range relative to a given geometry. We also focus on efficient and robust numerical algorithms for computing the so called Smooth Surface Diffraction predicted by Geometrical Theory of Diffraction (GTD). We restrict the presentation to frequency domain scattering problems. The hybrid methods consist in combinations of Boundary Element Methods and asymptotic methods. Three hybrids will be presented. One of them has been developed from a theoretical idea to an industrial code. The two other hybrids will be presented mainly from a theoretical perspective. To be able to compute the Smooth Surface Diffracted field we introduce a numerical method that is to be used with surface curvature sensitive meshing, complemented with auxiliary data taken from a geometry database. By using two geometry representations we can show first order convergence and we then achieve an efficient and robust numerical algorithm. This numerical algorithm may be an essential part of an GTD implementation which in its turn is a component in the hybrid methods. As a background to our new techiniques we will also give short introductions to the Boundary Element Method and the Geometrical Theory of Diffraction from a theoretical and implementational point of view.

Orientador: Lisandro Pavie Cardoso / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Fisica "Gleb Wataghin" / Made available in DSpace on 2018-08-06T14:37:07Z (GMT). No. of bitstreams: 1 Orloski_RenataVillela_D.pdf: 9544671 bytes, checksum: 925b3429c72cbe20c4e9a671e779ed5c (MD5) Previous issue date: 2006 / Resumo: Neste trabalho, a difração Bragg-Superfície (BSD), um caso especial da difração múltipla de raios-X, foi usada como uma microssonda de superfície com resolução para a detecção de defeitos originados próximos da interface cristal-amorfo (c-a) em junções rasas de B em Si, e uma nova técnica de caracterização de semicondutores (GaAs) submetidos à implantação com íons de Si. A varredura Renninger é o registro da intensidade de raios-X difratada pelos planos, normalmente paralelos à superfície de um monocristal, em função da rotação ö em torno da normal à esses planos. Ela exibe picos como contribuições da rede da matriz, e no nosso caso, se o feixe difratado propaga-se paralelamente aos planos, os picos são chamados de difração Bragg-Superfície (BSD), e mostrou-se, pela primeira vez, que essa difração carrega informações sobre a interface c-a. Contribuições da região implantada nas junções rasas, detectadas na varredura para a rede da matriz (picos híbridos), permitiram determinar a presença de Si intersticial, responsável pela difusão do B, e estimar a profundidade da junção de B em Si pré-amorfizado com íons de F, confirmando resultado encontrado por espectroscopia de massa de íons secundários (SIMS). O estudo do efeito da energia e densidade de corrente de implantação, e da energia térmica conduziu às melhores condições para a otimização do processo de recristalização da rede e difusão do dopante, visando a obtenção das junções rasas. Já o mapeamento da condição de difração dos picos BSD foi importante na observação direta da recristalização e difusão do dopante. Parâmetros de rede e perfeição cristalina foram determinados na superfície da matriz GaAs(001) com dfiração múltipla e a simulação dos picos BSD mostrou que menores doses de implantação de íons Si causam os maiores defeitos no plano da superfície do GaAs, o que não acontece com as altas doses pelo efeito da intensa amorfização próximo à interface c-a. O mapeamento dos casos BSD mostraram sensibilidade suficiente para a detecção da formação da região implantada em função da dose nas amostras de GaAs implantadas com Si / Abstract: In this work, the Bragg-Surface Diffraction (BSD), a special case of the X-ray Multiple Diffraction, was used as a surface microprobe with resolution to detect the defects created close to the crystal-amorphous (c-a) interface in shallow junctions of B in Si, as well as a novel technique for characterization of semiconductors (GaAs) under Si ions implantation. Renninger scan is the record of the X-ray intensity diffracted by the planes, normally parallel to the single crystal surface, as a function of the ö rotation around the normal to these planes. It exhibits peaks as matrix lattice contributions and, in our case, if the diffracted beam is propagated along the planes, the peaks are called Bragg-Surface Diffraction (BSD) and, one has shown, by the first time, that this diffraction carries information on the c-a interface. Contributions from the shallow junction implanted regions, detected in the matrix lattice scan (hybrid peaks), allowed to determine the presence of interstitial Si, that is responsible for the B diffusion, and to estimate the B junction depth in Si pre-amorphizied by F ions. This result confirms that found by Secondary Ion Mass Spectroscopy (SIMS). The study of the effect of the energy and implantation current density as well as the thermal energy allowed to determine the best conditions for the optimization of the doping diffusion and lattice recrystallization process, aiming to the shallow junction preparation. On the other hand, the mapping of the BSD peak diffraction condition gave rise to the direct observation of both processes (recrystallization and diffusion). Lattice parameters and crystalline perfection were determined on the GaAs(001) matrix surface by using Multiple Diffraction and the BSD peak simulation has shown that low implantation doses of Si ions has caused strongest damages on the GaAS surface plane. To the contrary, in high doses this effect is strongly reduced by the intense amorphization close to the c-a interface. The BSD mappings have shown enough sensitivity to detect the implanted region formation as a function of the Si implantation dose in GaAs samples / Doutorado / Física da Matéria Condensada / Doutor em Ciências

Le travail de cette thèse porte sur l’étude expérimentale de la diffusion d’atomes d’hydrogène sur des surfaces et sous incidence rasante. L’énergie des atomes et des ions varie de quelques centaines d’eV à quelques keV, tandis que les surfaces étudiées sont des isolants et des semi-métaux. En particulier on a étudié la formation de l’ion H- sur du graphite pyrolytique dit HOPG (highly oriented pyrolytic graphite) et sur une surface de LiF(001). Pour ce dernier système, nous avons étudié en détail la diffraction d’atomes H° et d’ions H+. Ces expériences ont été réalisées sur un montage expérimental utilisant un faisceau pulsé et permettant de détecter en coïncidence les particules diffusées et les électrons secondaires. L’ensemble permet de connaître la charge finale de la particule diffusée, sa perte d’énergie, son angle de diffusion, le tout en corrélation avec la statistique et l’énergie des électrons émis.Le résultat de ce travail a révélé que la diffraction persiste dans le régime inélastique. En effet, nous observons un motif de diffraction après la neutralisation de proton sur la surface de LiF(001). Un modèle est proposé pour expliquer ces résultats qui semblent en contradiction avec ceux publiés par le groupe de H. Winter sur la diffraction d’atomes d’hydrogène sur cette même surface. Concernant la formation d’ion négatif sur HOPG, nous avons mis en évidence un taux de H- (~10%) sur une surface propre. C’est le plus haut taux de H- jamais observé avec ce type d’expérience en incidence rasante. C’est encore plus élevé qu’avec des isolants ioniques, ces derniers donnant un taux déjà 10 fois plus grand que celui observé sur métaux propres. Ces résultats confirment l’efficacité du graphite à convertir des ions et des atomes en ions négatifs. En exploitant les données fournies par la technique des coïncidences, nous avons pu élucider le mécanisme à l’œuvre dans cette conversion. Du fait de la structure électronique particulière de HOPG, avec une bande interdite projetée dans la direction Gamma, seuls les électrons localisés sigma contribuent à la formation de l’ion négatif, donnant au HOPG un caractère isolant du point de vue de la capture électronique. Les électrons pi contribuant de manière efficace à la perte d’énergie par collisions binaires, donnant de ce point de vue au HOPG son caractère métallique. / In this thesis, we have investigated experimentally the scattering of hydrogen atoms and ions on solid surfaces at grazing incidence. The projectile energy ranges from several hundred eV to few keV. The formation of H- ions is studied on highly oriented pyrolytic graphite (HOPG) surface; and surface diffraction is carried out on LiF(001) surface with H° and H+ particle scattering. Both experiments were performed in the same experimental setup (see Figure 1.2 and 2.1)—with grazing scattering geometry and a PSD (position sensitive detector) located downstream to record scattered particles. For charge state analysis a set of electrostatic plates is inserted between sample and PSD. During the experiment, coincident measurement technique is used to identify the energy loss associated to 0, 1, 2…electrons emission. Clear evidence of diffraction with inelastic scattering by proton on LiF(001) has been obtained, which has not been observed before. Indeed, the group of H. Winter reported that no diffraction exists with inelastic scattering of H° on LiF(001). However, according to our result, a coherence scattering factor still exists even though the electron capture by the proton is an inelastic process. For negative ion formation on HOPG surface, we report here the highest fraction of H- (~10%) measured in grazing scattering experiments; it is larger than those obtained on ionic insulators, the latter being typically 10 times larger than those measured on clean metals. These results confirm the high yields of negative hydrogen ions from graphite reported in the literature. Electron emission and energy loss of scattered beam have also been deciphered via coincidence measurement. Due to the special structure of HOPG, two kinds of electron emissions (σ and π-band electron) and energy losses (cycles and metal-like energy loss) have been measured. Furthermore, the total electron emission on HOPG with insulator-like behavior and total energy loss with metal-like are the most representative property of HOPG which have been first presented in this thesis.