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Caracterização de tecidos mamários através de modelos estatísticos utilizando o espalhamento de raios-x\". / Breast Tissue Characterization by Statistical Models Using X-Ray ScatteringCunha, Diego Merigue da 24 March 2006 (has links)
Em um exame mamográfico, quando os fótons de raios-X incidem sobre a mama, uma parte destes fótons é transmitida sem ser desviada da trajetória inicial (radiação transmitida primária), permitindo a formação da imagem mamográfica, e outra é dispersa de sua trajetória inicial pelo tecido (radiação espalhada), atuando de forma deletéria na imagem mamográfica. Entretanto, recentes investigações têm demonstrado que a radiação espalhada pode ser útil na caracterização de tecidos. O objetivo deste trabalho é desenvolver um modelo de diagnóstico de alterações no tecido mamário utilizando as informações presentes na distribuição angular da radiação espalhada (perfil de espalhamento). Os perfis de espalhamento de 40 amostras de tecidos mamários foram obtidos utilizando um difractômetro comercial SIEMENS D5005, operando em modo reflexão na energia de 8,04 keV e variando o detector da posição angular de 5º a 150º, correspondendo a um intervalo de x de 0,03Å-1 a 0,62 Å-1. As amostras de tecido foram previamente classificadas histopatologicamente como tecidos normais, fibroadenomas (neoplasias benignas) e diferentes tipos de carcinomas (neoplasias malignas). Neste trabalho, três modelos de diagnóstico baseados na análise estatística dos perfis de espalhamento foram desenvolvidos. O primeiro, analisa seis parâmetros extraídos dos perfis de espalhamento, já o segundo e o terceiro utilizam análise multivariada (análise de componentes principais e análise de discriminante, respectivamente) para reconhecimento de padrões. Para cada modelo, valores de sensibilidade, especificidade e índice de concordância entre o diagnóstico baseado no modelo utilizado e o diagnóstico histopatológico foram obtidos. Dentre os modelos desenvolvidos, aquele que utiliza análise de discriminante proporciona o melhor diagnóstico das alterações encontradas no tecido, permitindo diferenciar tecidos normais e neoplasias benignas e malignas. Com base nos resultados obtidos conclui-se que modelos baseados na análise estatística dos perfis de espalhamento permitem classificar histologicamente tecidos mamários. / In mammography, when x-ray photons reach the breast, a fraction of these photons is transmitted without interaction with any tissues (primary transmitted radiation), allowing the formation of the mammographic image, and another fraction of them is deviated by the tissue from its initial trajectories (scattered radiation), reducing the image contrast. However, recent investigations have demonstrated that scattered radiation can be a useful diagnostic tool. The purpose of this work is to develop a diagnostic model for breast tissue characterization using the angular distribution of the scattered radiation (scattering profile). The scattering profiles of 40 breast tissue samples were obtained in a SIEMENS D5005 diffractometer, operating in reflection mode at 8,04keV, and varying the angular position of the detector from 5º to 150º, corresponding to an x interval from 0,03 Å-1 to 0,62 Å-1. All tissue samples were previously classified histopathologically as normal tissues, fibroadenomas (benign alteration) and several types of carcinomas (malignant alteration). Three models of diagnostic based on the statistical analysis of the scattering profiles were developed. The first one was constructed using six parameters extracted from the scattering profiles and the second and third models used the whole information from the scattering profiles. The latter two used multivariate analysis (principal component analysis and discriminant analysis, respectively) for pattern recognition. For each model, values of sensitivity, specificity and rate of agreement between the model diagnostic and histopathological results were obtained. Among the developed models, the discriminant analysis provides the best diagnostic of the lesions present in the tissues (normal tissues, benign and malignant alterations). From the results, it is possible to conclude that models based on the statistical analysis of the scattering profiles allow the histological classification of breast tissues.
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Estudo de Fases Termotrópicas por Microscopia Óptica, Medidas de Densidade, Entálpicas e Espalhamento de Raios X / Thermotropic phase study, by optical microscopy, density and calorimetric measurements and X-ray scattering.Evandro Luiz Duarte 05 May 2000 (has links)
Neste trabalho estudamos a influência do tamanho molecular médio sobre a natureza da transição de fase esmética A (SA)-colestérica (C) líquido-cristalina para os compostos termotrópicos de miristato de colesterila (C14), nonanoato de colesterila (C9) e misturas binárias de C14 e C9 e caproato de colesterila (C6) e C9. Medidas de microscopia óptica foram realizadas para determinar as temperaturas de transição de fase SA C e C-isotrópica (I). Isto possibilitou a escolha dos intervalos de temperatura próximos às transições de fases, como referências para as outras técnicas utilizadas no trabalho. A natureza das transições de fase (descontínua, também denominada de primeira ordem, ou contínua) foi inferida através das análises de medidas de densidade e entálpicas. Os resultados evidenciaram que a transição passa de primeira ordem para contínua quando o tamanho molecular médio e a temperatura reduzida, r (definida como a razão entre as temperaturas de transição de fases SA C e C I ), decrescem no sistema. A ocorrência de uma transição de fase SA C contínua foi observada para a concentração de 65% de C9 na mistura C6 C9, para o valor de r ~ 0, 92. Propriedades mesoscópicas dos compostos estudados, como a distância entre as camadas esméticas na fase SA, dSA, o tamanho molecular médio, , no domínio C, e o comportamento do tamanho de correlação, , ao longo das transições de fase, foram determinadas da análise dos picos de difração de raios X. Os dados revelaram que dSA diminui com o decréscimo do tamanho molecular médio, como era esperado. Além disso, os valores de obtidos na fase C, próximos à transição I C, concordam com os tamanhos moleculares médios calculados supondo que as moléculas estejam em conformação estendida. Mais ainda, foi observado um aumento no tamanho de correlação na fase C quando a temperatura é reduzida da fase I para a fase SA, representando um aumento no grau de ordem orientacional. Contudo, o parâmetro troca abruptamente na transição C SA. Tal descontinuidade diminui com o decréscimo do tamanho molecular médio (e assim com r). Para o sistema particular composto por 65% C9 : 35% C6, onde identificamos um transição de fase contínua SA C, observamos um comportamento de (T TSAC)0,5 no domínio da fase C, em bom acordo com a teoria de campo médio. / The influence of the mean molecular length on the nature of the smectic A (SA)- cholesteric (C) liquid crystal phase transition has been studied for cholesteryl myristate (C14), cholesteryl nonanoate (C9) and binary mixtures of C14 and C9 and cholesteryl caproate (C6) and C9. Optical microscopy was carried out to determine the temperatures of the SAC as weel as the C - isotropic (I) phase transitions. This allowed the choice of the optimum temperature interval near the phase transitions. Information concerning the nature of the transitions (descontinuous, also referred to as first order, or continuous) was evaluated through the analysis of the density and enthalpic measurements. The results have evidenced that the transition crosses over from first order to continuous when both the mean molecular length and the reduced temperature, r (ratio between SAC and CI phase transition temperatures), decrease in the system. The occurrence of a continuous SA C phase transition is observed for a concentration very near 63.1 molar percent of C9 in the C6 C9 mixture (65 wt% C9 : 35 wt% C6), at r ~ 0.92. Mesoscopic properties of the systems, as the distance between the smectic layers in the SA phase, dSA, the mean molecular length, , in the C domain, and the correlation length, , behavior along the phase transitons, were determined from the X-ray difraction peaks. The data have revealed that dSA decreases as the mean molecular length is reduced, as it was expected. Moreover, values obtained in the C phase near the I C phase transition agree with the mean molecular lengths calculated from the corresponding extended molecule lengths. In addition, an increase in the correlation length in the C phase is observed, as the temperature is reduced from I to SA phases, representing an increase in the orientational order. Nevertheless, the parameter jumps in the C SA phase transition. Such discontinuity decreases as the mean molecular length (and hence the reduced temperature) diminishes. For the particular system composed of 65 wt% C9 : 35 wt% C6, where a continuous SA C phase transition was identified, a behavior of (T TSAC)0,5 in the C domain was observed, in good agreement with the mean field theory.
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Auto-inhibition mechanism of the guanine nucleotide exchange factor Tiam1Xu, Zhen 01 August 2016 (has links)
The Rho family of guanosine triphosphatases (GTPases) function as binary molecular switches, which play an important role in the regulation of actin cytoskeleton rearrangement and are involved in several critical cellular processes including cell adhesion, division and migration. Rho GTPases are specifically activated by their associated guanine nucleotide exchange factors (RhoGEFs). Dysregulation of RhoGEFs function through mutation or overexpression has been implicated in oncogenic transformation of cells and linked to several kinds of invasive and metastatic forms of cancer. T-cell lymphoma invasion and metastasis 1 (Tiam1) is a multi-domain Dbl family GEF protein and specifically activates Rho GTPase Rac1 through the catalytic Dbl homology and Pleckstrin homology (DH-PH) bi-domain. Previous works have shown that the nucleotide exchange function of the full-length Tiam1 is auto-inhibited and can be activated by N-terminal truncation, phosphorylation and protein-protein interactions. However, the molecular mechanisms of Tiam1 GEF auto-inhibition and activation have not yet been determined. In this study, the N-terminal PH-CC-Ex domain of Tiam1 is shown to directly inhibit the GEF function of the catalytic DH-PH domain in vitro. Using fluorescencebased kinetics experiments, we demonstrate that the auto-inhibition of Tiam1 GEF function occurs by a competitive inhibition model. In this model, the maximum velocity of catalytic activity remains unchanged, but the Michaelis-Menten constant of the auto-inhibited Tiam1 (the PH-PH fragment) on the substrate Rac1 is increased compared to the activated Tiam1 (the catalytic DH-PH domain alone). Through small angle X-ray scattering (SAXS), the structure of auto-inhibited Tiam1 (the PH-PH fragment) is shown to form a closed conformation in which the catalytic DH-PH domain is blocked by the N-terminal PH-CC-Ex domain. Taken together, these findings demonstrate the molecular mechanism of Tiam1 GEF autoinhibition in which the PH-CC-Ex domain of Tiam1 inhibits its GEF function by preventing the substrate Rho GTPase Rac1 from accessing the catalytic DH-PH bi-domain.
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X-ray Study of Strain, Composition, Elastic energy ans Atomic ordering in Ge islands on Si(001)Malachias, Angelo 19 July 2005 (has links) (PDF)
Neste trabalho foram utilizadas técnicas de difração de raios-x para estudar propriedades químicas e estruturais de ilhas de Ge:Si(001). Através de experimentos de difração por incidência rasante foi realizado um mapeamento estrutural da relaxação de strain dentro de pirâmides e domos de Ge. Alterando-se a energia dos raios-x próximo à borda K do Ge – em medidas de difração anômala – foi possível determinar a composição química dos dois tipos de ilhas. A energia elástica, obtida correlacionando-se estes dois resultados, provou ser um dos fatores responsáveis pelas transições morfológicas neste sistema. Uma extensão dos resultados, com o uso de um novo método de análise, permitiu um completo mapeamento tri-dimensional da estrutura e estequiometria dos domos de Ge. Por último, foi observada a existência de uma liga ordenada de SiGe dentro dos domos, indicando o importante papel da cinética de crescimento na incorporação de Si nas ilhas.
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Double Excitations in Helium Atoms and Lithium CompoundsAgåker, Marcus January 2006 (has links)
<p>This thesis addresses the investigation of doubly excited <i>2l´nl</i> states in helium atoms and double core excitations in solid lithium compounds.</p><p>Measurements on <i>He</i> are made in field free environments and under the influence of electric and magnetic fields, using synchrotron based inelastic photon scattering. Cross sections for scattering to singly excited final states are directly determined and compared to theoretical results and are found to be in excellent agreement. Radiative and spin-orbit effects are quantified and are shown to play an important role in the overall characterization of highly excited <i>He </i>states below the <i>N =2</i> threshold. A dramatic electric field dependence is also observed in the flourecence yield already for relatively weak fields. This signal increase, induced by electric as well as magnetic fields, is interpreted in terms of mixing with states of higher fluorescence branching ratios.</p><p>Double core excitations at the lithium site in solid lithium compounds are investigated using resonant inelastic x-ray scattering (RIXS). The lithium halides <i>LiF, LiCl, LiBr</i> and <i>LiI </i>are studied as well as the molecular compounds <i>Li</i><i>2</i><i>O, Li</i><i>2</i><i>CO</i><i>3</i> and <i>LiBF</i><i>4</i>. States with one, as well as both, of the excited electrons localized at the site of the bare lithium nucleus are identified, and transitions which involve additional band excitations are observed. A strong influence of the chemical surrounding is found, and it is discussed in terms of the ionic character of the chemical bond.</p>
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Soft X-ray Scattering Dynamics Close to Core Ionization Thresholds in Atoms and MoleculesSöderström, Johan January 2007 (has links)
<p>In this Thesis studies of highly excited states in gas-phase atoms and molecules (He, Ne, N<sub>2</sub>, O<sub>2</sub>, N<sub>2</sub>O and CO<sub>2</sub>) using a variety of synchrotron-radiation based techniques are presented. The three techniques used most frequently are X-ray-emission-threshold-electron coincidence (XETECO), X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) and they are all given a brief introduction. </p><p>The fluorescence yield (FY) from doubly excited states in helium near the N=2 threshold(s) has been investigated in weak static external magnetic and electric fields, but also in a field free environment. The FY spectra in weak static magnetic fields show the importance of including the diamagnetic interaction in the theoretical models. The presence of weak static electric fields shows that even weak fields (as low as 44 V/cm) has a great impact on the observed FY spectra. Resonant XES spectra from some of the first doubly excited states in helium has been recorded in a field free environment, and compared to theory.</p><p>The XETECO technique is presented and the first XETECO results from Ne, N<sub>2</sub>, O<sub>2</sub>, CO<sub>2</sub> and N<sub>2</sub>O are shown, together with interpretations of possible threshold dynamics. I show that XETECO can be interpreted as threshold photoelectron spectra free from post collision interaction, and can hence be compared to above threshold XPS measurements. The observed below-threshold structures in the XETECO spectra are discussed and given a tentative explanation. The results from the analysis of the N<sub>2</sub>O XETECO spectrum lead to further investigations using XPS. Results showing the vibrational parameters and vibrationally resolved cross-sections and asymmetry parameters for N<sub>2</sub>O are presented together with theoretical predictions.</p>
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Meso- und mikroporöse Hochleistungspolymere : Synthese, Analytik und Anwendungen / Meso- and microporous high performance polymers : synthesis, characterisation and applicationWeber, Jens January 2007 (has links)
Die Arbeit beschreibt die Synthese, Charakterisierung und Anwendung von meso- und mikroporösen Hochleistungspolymeren.
Im ersten Teil wird die Synthese von mesoporösen Polybenzimidazol (PBI) auf der Basis einer Templatierungsmethode vorgestellt. Auf der Grundlage kommerzieller Monomere und Silikatnanopartikel sowie eines neuen Vernetzers wurde ein Polymer-Silikat-Hybridmaterial aufgebaut. Das Herauslösen des Silikats mit Ammoniumhydrogendifluorid führt zu mesoporösen Polybenzimidazolen mit spherischen Poren von 9 bis 11 nm Durchmesser. Die Abhängigkeit der beobachteten Porosität vom Massenverhältnis Silikat zu Polymer wurde ebenso untersucht wie die Abhängigkeit der Porosität vom Vernetzergehalt. Die Porosität vollvernetzter Proben zeigt eine lineare Abhängigkeit vom Verhältnis Silikat zu Polymer bis zu einem Grenzwert von 1. Wird der Grenzwert überschritten, ist teilweiser Porenkollaps zu beobachten. Die Abhängigkeit der Porosität vom Vernetzergehalt bei festem Silikatgehalt ist nichtlinear. Oberhalb einer kritischen Vernetzerkonzentration wird eine komplette Replikation der Nanopartikel gefunden. Ist die Vernetzerkonzentration dagegen kleiner als der kritische Wert, so ist der völlige Kollaps einiger Poren bei Stabilität der verbleibenden Poren zu beobachten. Ein komplett unporöses PBI resultiert bei Abwesenheit des Vernetzers.
Die mesoporösen PBI-Netzwerke konnten kontrolliert mit Phosphorsäure beladen werden. Die erhaltenen Addukte wurden auf ihre Protonenleitfähigkeit untersucht. Es kann gezeigt werden, dass die Nutzung der vordefinierten Morphologie im Vergleich zu einem unstrukturierten PBI in höheren Leitfähigkeiten resultiert. Durch die vernetzte Struktur war des Weiteren genügend mechanische Stabilität gegeben, um die Addukte reversibel und bei sehr guten Leitfähigkeiten bis zu Temperaturen von 190°C bei 0% relativer Feuchtigkeit zu untersuchen. Dies ist für unstrukturierte Phosphorsäure/PBI - Addukte aus linearem PBI nicht möglich.
Im zweiten Teil der Arbeit wird die Synthese intrinsisch mikroporöser Polyamide und Polyimide vorgestellt. Das Konzept intrinsisch mikroporöser Polymere konnte damit auf weitere Polymerklassen ausgeweitet werden. Als zentrales, strukturinduzierendes Motiv wurde 9,9'-Spirobifluoren gewählt. Dieses Molekül ist leicht und vielfältig zu di- bzw. tetrafunktionellen Monomeren modifizierbar. Dabei wurden bestehende Synthesevorschriften modifiziert bzw. neue Vorschriften entwickelt.
Ein erster Schwerpunkt innerhalb des Kapitels lag in der Synthese und Charakterisierung von löslichen, intrinsisch mikroporösen, aromatischen Polyamid und Polyimid. Es konnte gezeigt werden, dass das Beobachten von Mikroporosität stark von der molekularen Architektur und der Verarbeitung der Polymere abhängig ist. Die Charakterisierung der Porosität erfolgte unter Nutzung von Stickstoffsorption, Kleinwinkelröntgenstreuung und Molecular Modeling. Es konnte gezeigt werden, dass die Proben stark vom Umgebungsdruck abhängigen Deformationen unterliegen. Die starke Quellung der Proben während des Sorptionsvorgangs konnte durch Anwendung des "dual sorption" Modells, also dem Auftreten von Porenfüllung und dadurch induzierter Henry-Sorption, erklärt werden.
Der zweite Schwerpunkt des Kapitels beschreibt die Synthese und Charakterisierung mikroporöser Polyamid- und Polyimidnetzwerke. Während Polyimidnetzwerke auf Spirobifluorenbasis ausgeprägte Mikroporosität und spezifische Oberflächen von ca. 1100 m²/g aufwiesen, war die Situation für entsprechende Polyamidnetzwerke abweichend. Mittels Stickstoffsorption konnte keine Mikroporosität nachgewiesen werden, jedoch konnte mittels SAXS eine innere Grenzfläche von ca. 300 m²/g nachgewiesen werden.
Durch die in dieser Arbeit gezeigten Experimente kann die Grenze zwischen Polymeren mit hohem freien Volumen und mikroporösen Polymeren somit etwas genauer gezogen werden. ausgeprägte Mikroporosität kann nur in extrem steifen Strukturen nachgewiesen werden.
Die Kombination der Konzepte "Mesoporosität durch Templatierung" und "Mikroporosität durch strukturierte Monomere" hatte ein hierarchisch strukturiertes Polybenzimidazol zum Ergebnis. Die Präsenz einer Strukturierung im molekularen Maßstab konnte SAXS bewiesen werden. Das so strukturierte Polybenzimidazol zeichnete sich durch eine höhere Protonenleitfähigkeit im Vergleich zu einem rein mesoporösen PBI aus.
Der letzte Teil der Arbeit beschäftigte sich mit der Entwicklung einer neuen Synthesemethode zur Herstellung von Polybenzimidazol. Es konnte gezeigt werden, dass lineares PBI in einer eutektischen Salzschmelze aus Lithium- und Kaliumchlorid synthetisiert werden kann. Die Umsetzung der spirobifluorenbasierten Monomere zu löslichem oder vernetztem PBI ist in der Salzschmelze möglich. / The first part of the thesis describes the synthesis and characterisation of cross linked, mesoporous poly(benzimidazole) (PBI) prepared by a hard templating approach. Silica nanoparticles were used as template and removed after the polycondensation by immersing the hybrid material in aqueous NH4HF2 solution. The resulting mesoporous PBI showed surface areas up to 200 m²/g as established by N2 BET and porosities up to 37 vol.-%. The influence of the template and cross linker content on the observable porosity was investigated. Nitrogen sorption and small angle x-ray scattering (SAXS) were employed as analytical techniques. The template morphology was reproduced almost perfectly, yielding spherical pores of 11 nm in diameter if the samples were fully cross linked. It was shown that there is a linear dependence of the porosity on the template content up to a critical weight ratio of silica/polymer. If the silica content is raised above 50 wt.-% partial collapse of pores is observed. The dependence of the porosity on the cross linker content at constant amount of template was found to be non-linear. At the absence of any cross linker, no porosity was observed after template removal. At 10 mol-% cross linker the onset of porosity could be observed. At higher cross linker contents, the porosity was nearly the same as for the fully cross linked PBI.
The mesoporous PBI could be loaded with crystalline phosphoric acid to yield highly proton conductive materials. It was shown that the material retains its nanostructure when loaded with phosphoric acid even after annealing at 180_C for 12 h. The conductivity of the nanostructured samples was one to two orders of magnitude higher than the conductivity of a nonstructured sample. The impact of the cross linking density on the conductivity was also investigated.
The second part of the work describes the synthesis and characterisation of microporous poly(amide)s and poly(imide)s. 9,9'-spirobifluorene derivatives were used to introduce a rigid, structure-directing motif which prevents the polymer chains from close packing.
Firstly, the synthesis of soluble poly(amide)s and poly(imide) is described. It was observed that the microporosity is strongly dependent on the processing of the soluble polymers. In the case when polymers were precipitated from solvents of high polarity no microporosity was observed, while polymers prone to solvation in solvents of lower polarity exhibited microporosity as observed in nitrogen sorption measurements. Wide angle x-ray scattering (WAXS) showed that the microstructure was indeed dependent on the processing conditions. SAXS measurements of the polymers revealed that nitrogen sorption alone is not sufficient for the analysis of the porosity. A significant mismatch between the results obtained by the two methods indicated that only a fraction of the pore volume of the polymers was accessible for nitrogen molecules.
The second part of the chapter describes the synthesis, characterisation and application of spirobifluorene based, cross linked poly(amide)s and poly(imide)s. The poly(amide) networks did not show any microporosity when analysed by nitrogen sorption. This led to the conclusion that the amide bond is too weak to withstand the interfacial forces. In contrast, poly(imide) networks exhibited pronounced microporosity with surface areas of around 1000 m2/g. The analysis of these networks was again done by nitrogen sorption and SAXS. Furthermore, molecular modelling was used to calculate the true and apparent densities of the networks. In case of the poly(imide) networks, the results of the various measurement techniques were in reasonable agreement. This indicates that the pore volume was nearly completely accessible. Finally it was established that the structure directing motif is necessary to obtain microporous polymers, as a poly(imide) prepared from a spatially undefined monomer did not feature microporosity.
Pressure dependent SAXS measurements showed that the polymer networks undergo significant elastic deformations upon evacuation. This behavior complicates the analysis of the nitrogen sorption data, making it impossible to extract reliable pore size distributions.
The third and last part of the thesis deals with the development of a new reaction medium for the synthesis of poly(benzimidazole). An eutectic salt melt, composed of lithium chloride and potassium chloride was used in an ionothermal synthesis of linear PBI, opening a green chemistry route towards PBI. The influence of the reaction conditions on the properties of the resulting polymers was investigated. The new reaction medium allowed furthermore the synthesis of linear and cross linked spirobifluorene based PBIs. This is not easily possible by using the classical synthetic pathways towards PBI. The spirobifluorene based PBIs synthesized in this work did, however not feature intrinsic microporosity.
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Soft X-ray Scattering Dynamics Close to Core Ionization Thresholds in Atoms and MoleculesSöderström, Johan January 2007 (has links)
In this Thesis studies of highly excited states in gas-phase atoms and molecules (He, Ne, N2, O2, N2O and CO2) using a variety of synchrotron-radiation based techniques are presented. The three techniques used most frequently are X-ray-emission-threshold-electron coincidence (XETECO), X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) and they are all given a brief introduction. The fluorescence yield (FY) from doubly excited states in helium near the N=2 threshold(s) has been investigated in weak static external magnetic and electric fields, but also in a field free environment. The FY spectra in weak static magnetic fields show the importance of including the diamagnetic interaction in the theoretical models. The presence of weak static electric fields shows that even weak fields (as low as 44 V/cm) has a great impact on the observed FY spectra. Resonant XES spectra from some of the first doubly excited states in helium has been recorded in a field free environment, and compared to theory. The XETECO technique is presented and the first XETECO results from Ne, N2, O2, CO2 and N2O are shown, together with interpretations of possible threshold dynamics. I show that XETECO can be interpreted as threshold photoelectron spectra free from post collision interaction, and can hence be compared to above threshold XPS measurements. The observed below-threshold structures in the XETECO spectra are discussed and given a tentative explanation. The results from the analysis of the N2O XETECO spectrum lead to further investigations using XPS. Results showing the vibrational parameters and vibrationally resolved cross-sections and asymmetry parameters for N2O are presented together with theoretical predictions.
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Growth and characterization of advanced layered thin film structures : Amorphous SmCo thin film alloysRoos, Andreas January 2012 (has links)
This report describes the growth and characterization of thin amorphous samarium-cobalt alloy films. The samarium-cobalt alloy was grown by DC magnetron sputtering in the presence of an external magnetic field parallel to the thin film. The external magnetic field induces a uniaxial in-plane magnetic anisotropy in the samarium-cobalt alloy. The thin films were characterized with x-ray scattering, and the magnetic anisotropy was characterized with the magneto optic Kerr effect. The measurements showed a uniaxial in-plane magnetic anisotropy in the samarium-cobalt alloy films. It is not clear how amorphous the samples really are, but there are indications of crystalline and amorphous areas in the alloys.
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Study of anomalous electric and magnetic behaviors of the 3dtransition metal oxides by X-ray and Neutron scattering techniquesWu, Chun-Pin 19 February 2011 (has links)
In this thesis, we have performed systematical study of anomalous electric and magnetic behaviors of the 3d transition metal oxides; colossal magnetoresistance (La1−xRxMnO3 where R is a divalent alkaline earth ion) and Multiferroic (Ho1-xLaxMn2O5) systems by X-ray and Neutron scattering techniques.
In our study, the enhancement of the transfer temperature for La0.8Ba0.2MnO3 under strain effect from the SrTiO3 substrate could be possible due to two reasons which one is Sr diffusion from SrTiO3 substructure, and other one is the octahedral MnO6 high symmetry are increasing. We focus the intrinsic strain effect on La0.67Ca0.33MnO3 and La0.8Ba0.2MnO3 films, and findings show that due to the different ionic sizes of doped Ca or Ba ions, the strain effect acts differently in the way it deforms. The interfacial strain effect produces opposite influences on the lattice symmetry, the average Mn¡VO bond lengths, the average oxygen disorders, the coupling symmetries inside and in the vicinity of the MnO6 octahedrons, as well as producing an opposing trend in metal-insulator and magnetic transition temperatures of the strained La0.67Ca0.33MnO3 and La0.8Ba0.2MnO3 films. The strain effects on the electronic structures of La0.67Ca0.33MnO3 and La0.8Ba0.2MnO3 thin films have been studied by O K-edge x-ray absorption near edge structure (XANES) spectroscopy. For La0.67Ca0.33MnO3, the first-principles calculations reveal that the features in the XANES spectra are associated with hybridized states between O 2p and Mn minority-spin 3d t2g and eg, La 5d/Ca 3d, and Mn 4s/Ca 4p states. An analysis of these features shows that the tensile strain decreases substantially La¡VO and Ca¡VO hybridization and TC for La0.67Ca0.33MnO3. For La0.8Ba0.2MnO3, the small compressive strain enhances slightly La¡VO and Ba¡VO hybridization and TC. In this thesis, the influence of the local structure distortion on the magnetic transition in La doped HoMn2O5 Multiferroics has been investigated systematically. The orthorhombic crystal structure of Ho1−xLaxMn2O5 is maintained up to x¡Ø0.2 but decomposed into multiphase for x¡Ù0.25. By doping La ions to a concentration of 0.1¡Øx¡Ø0.2, the formation of the RMnO3 1(13) phase can be suppressed and single-phase Ho1−xLaxMn2O5 (0.1¡Øx¡Ø0.2) compounds can be formed under 1 atm flowing oxygen. For x=0.2, a ferromagnetic FM transition at 150 K is superimposed on the paramagnetic background, which implies that the compound undergoes a ferromagnetic to antiferromagnetic (AFM) transition. This unique FM to AFM transition is observed for the first time. The FM transition is attributed to the formation of magnetic clusters in a host paramagnetic matrix. The anomalous magnetic clusters phenomena observed in Ho0.8La0.2Mn2O5 can be directly attributed to the different properties between Ho and La ions, and the differences of Ho and La ions are not only in the ionic radius but also in the electron negativity. During 90~150K, X-ray scattering diffraction presented the new addition peaks indicates the new electric density distribution, and the Neutron powder scattering diffraction (NPD) refining results show that the local structure of R-O (R: La, Ho) is un-symmetry which is conflict to the La Extended X-ray absorption fine structure (EXAFS) (which shows that the local structure of La-O becomes more symmetry than H-O. Since the refining values of the NPD are an average of entire crystal, such that it cannot tell the local changes. X-ray absorption spectrum (XAS) and EXAFS, in contrarily, can provide the local information. They implies that the temperature evolutions of the coupling strength with O 2p or unoccupied density state are opposite for the Ho and La ions in our Ho0.8La0.2Mn2O5 sample. Therefore, local change of ions position and charge redistribution happens in this specific temperature range.
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