Spin-polarization effects in homogeneous and non-homogeneous diluted magnetic semiconductor heterostructures

Spin polarization is a key characteristic in developing spintronic devices. Diluted magnetic heterostructures (DMH), where subsequent layers of conventional and diluted magnetic semiconductors (DMS) are alternate, are one of the possible ways to obtain it. Si being the basis of modern electronics, Si or other group-IV DMH can be used to build spintronic devices directly integrated with conventional ones. In this work we study the physical properties and the spin-polarization effects of p-type DMH based in group-IV semiconductors (Si, Ge, SiGe, and SiC), by performing self-consistent (k) over right arrow . (p) over right arrow calculations in the local spin density approximation. We show that high spin polarization can be maintained in these structures below certain values of the carrier concentrations. Full spin polarization is attained in the low carrier concentration regime for carrier concentrations in the DMS layer up to similar to 2.0 x 10(19) cm(-3) for Si and up to similar to 6.0 x 10(19) cm(-3) for SiC. Partial, but still important spin polarization can be achieved for all studied group-IV DMH, with the exception of Ge for carrier concentrations up to 6.0 x 10(19) cm(-3). The role played by the effective masses and the energy splitting of the spin-orbit split-off hole bands is also discussed throughout the paper.

Rankamaite from the Urubu pegmatite, Itinga, Minas Gerais, Brazil: Crystal chemistry and Rietveld refinement

A new occurrence of rankamaite is here described at the Urubu pegmatite, Itinga municipality, Minas Gerais, Brazil. The mineral forms cream-white botryoidal aggregates of acicular to fibrous crystals, intimately associated with simpsonite, thoreaulite, cassiterite, quartz, elbaite, albite, and muscovite. The average of six chemical analyses obtained by electron microprobe is (range in parentheses, wt%): Na(2)O 2.08 (1.95-2.13), K(2)O 2.61 (2.52-2.74), Al(2)O(3) 1.96 (1.89-2.00), Fe(2)O(3) 0.01 (0.00-0.03), TiO(2) 0.02 (0.00-0.06), Ta(2)O(5) 81.04 (79.12-85.18), Nb(2)O(5) 9.49 (8.58-9.86), total 97.21 (95.95-101.50). The chemical formula derived from this analysis is (Na(1.55)K(1.28))(Sigma 2.83)(Ta(8.45)Nb(1.64)Al(0.89)Fe(0.01)(3+)Ti(0.01))(Sigma 11.00)[O(25.02)(OH)(5.98)](Sigma 31.00). Rankamaite is an orthorhombic ""tungsten bronze"" (OTB), crystallizing in the space group Cmmm. Its unit-cell parameters refined from X-ray diffraction powder data are: a = 17.224(3), b = 17.687(3), c = 3.9361(7) angstrom, V = 1199.1(3) angstrom(3), Z = 2. Rietveld refinement of the powder data was undertaken using the structure of LaTa(5)O(14) as a starting model for the rankamaite structure. The structural formula obtained with the Rietveld analyses is: (Na(2.21)K(1.26))Sigma(3.37)(Ta(9.12)NB(1.30) Al(0.59))(Sigma 11.00)[O(26.29)(OH)(4.71)](Sigma 31.00). The tantalum atoms are coordinated by six and seven oxygen atoms in the form of distorted TaO(6) octahedra and TaO(2) pentagonal bipyramids, respectively. Every pentagonal bipyramid shares edges with four octahedra, thus forming Ta(5)O(14) units. The potassium atom is in an 11-fold coordination, whereas one sodium atom is in a 10-fold and the other is in a 12-fold coordination. Raman and infrared spectroscopy were used to investigate the room-temperature spectra of rankamaite.

Electronic structure and chemical bonding in W(2) molecule

The electronic structure of the lowest-lying electronic states of W(2) were investigated at the CASPT2 level. The ground state is a X(1)Sigma(+)(g) state, followed by the a(3)Delta(u), b(3)Sigma(+)(u) and A(1)Delta(u) electronic states. Seven low-lying Omega-states were computed: (1)0(g)(+), (2)3(u), (3)2(u), (4)1(u), (5)0(u)(-), (6)1(u), and (7)2(u), with the ground state corresponding to the (1)0(g)(+)(X(1)Sigma(+)(g)) state. Comparison with the other VIB transition metal group dimers indicates a common pattern of electronic structure and spectroscopic properties. (C) 2010 Elsevier B.V. All rights reserved.

Simultaneous determination of chromium and manganese in alumina by slurry sampling graphite furnace atomic absorption spectrometry using NbC and NaF as modifiers

This paper reports a method for the direct and simultaneous determination of Cr and Mn in alumina by slurry sampling graphite furnace atomic absorption spectrometry (SiS-SIMAAS) using niobium carbide (NbC) as a graphite platform modifier and sodium fluoride (NaF) as a matrix modifier. 350 mu g of Nb were thermally deposited on the platform surface allowing the formation of NbC (mp 3500 degrees C) to minimize the reaction between aluminium and carbon of the pyrolytic platform, improving the graphite tube lifetime up to 150 heating cycles. A solution of 0.2 mol L(-1) NaF was used as matrix modifier for alumina dissolution as cryolite-based melt, allowing volatilization during pyrolysis step. Masses (c.a. 50 mg) of sample were suspended in 30 ml of 2.0% (v/v) of HNO(3). Slurry was manually homogenized before sampling. Aliquots of 20 mu l of analytical solutions and slurry samples were co-injected into the graphite tube with 20 mu l of the matrix modifier. In the best conditions of the heating program, pyrolysis and atomization temperatures were 1300 degrees C and 2400 degrees C, respectively. A step of 1000 degrees C was optimized allowing the alumina dissolution to form cryolite. The accuracy of the proposed method has been evaluated by the analysis of standard reference materials. The found concentrations presented no statistical differences compared to the certified values at 95% of the confidence level. Limits of detection were 66 ng g(-1) for Cr and 102 ng g(-1) for Mn and the characteristic masses were 10 and 13 pg for Cr and Mn, respectively.

Thermodynamics and Lithium Intercalation in CeO(2)-TiO(2) Thin Film

The kinetics and the thermodynamics of electrochemical intercalation of lithium into CeO(2)-TiO(2) films prepared by the sol-gel process were studied by galvanostatic intermittent titration technique (GITT) as function of the depth of lithium intercalation. The open-circuit-potential versus x in Li(x)(CeO(2)-TiO(2)) curve consists of two straight lines with different slopes, one in the range of 0.03 <= x <= 0.09 and the other of 0.09 < x <= 0.15. The standard Gibbs energy for lithium intercalation Delta G(1)(0) was 6kJ/mol for x = 0.09 in Li(x)(CeO(2)-TiO(2)) at room temperature. The chemical diffusion coefficient value, D(Li+), of lithium intercalation into thin film oxide was 2.14.10(-11) cm(2)/s at x = 0.15, and the value of the component diffusion coefficient D(Li+),(k) was about one order of magnitude lower than the coefficient of chemical diffusion.

Tribological Testing of Some Potential PVD and CVD Coatings for Steel Wire Drawing Dies

Cemented carbide is today the most frequently used drawing die material in steel wire drawing applications. This is mainly due to the possibility to obtain a broad combination of hardness and toughness thus meeting the requirements concerning strength, crack resistance and wear resistance set by the wire drawing process. However, the increasing cost of cemented carbide in combination with the possibility to increase the wear resistance of steel through the deposition of wear resistant CVD and PVD coatings have enhanced the interest to replace cemented carbide drawing dies with CVD and PVD coated steel wire drawing dies. In the present study, the possibility to replace cemented carbide wire drawing dies with CVD and PVD coated steel drawing dies have been investigated by tribological characterisation, i.e. pin-on-disc and scratch testing, in combination with post-test observations of the tribo surfaces using scanning electron microscopy, energy dispersive X-ray spectroscopy and 3D surface profilometry. Based on the results obtained, CVD and PVD coatings aimed to provide improved tribological performance of steel wire drawing dies should display a smooth surface topography, a high wear resistance, a high fracture toughness (i.e. a high cracking and chipping resistance) and intrinsic low friction properties in contact with the wire material. Also, the steel substrate used must display a sufficient load carrying capacity and resistance to thermal softening. Of the CVD and PVD coatings evaluated in the tribological tests, a CVD TiC and a PVD CrC/C coating displayed the most promising results.

An investigation of worn work roll materials used in the finishing stands of the hot strip mill for steel rolling

The surface failure characteristics of different work roll materials, i.e. High Speed Steel, High Chromium Iron and Indefinite Chill Iron, used in the finishing stands of a hot strip mill have been investigated using stereo microscopy, 3D optical profilometry, scanning electron microscopy and energy dispersive X-ray spectroscopy. The results show that the surface failure mechanisms of work rolls for hot rolling are very complex, involving plastic deformation, abrasive wear, adhesive wear, mechanical and thermal induced cracking, material transfer and oxidation. Despite the differences in chemical composition and microstructure, the tribological response of the different work roll materials was found to be strongly dependent on the material microstructure and especially the presence and distribution of microstructural constituents, such as the different carbide phases and graphite (in the case of Indefinite Chill Iron). Cracking and chipping of the work roll surfaces, both having a negative impact on work roll wear, are strongly influenced by the presence of carbides, carbide networks and graphite in the work roll surface. Consequently, the amount of carbide forming elements as well as the manufacturing process must be controlled in order to obtain an optimised microstructure and a predictable wear rate.

Optical Characterization and Optimization of Display Components : Some Applications to Liquid-Crystal-Based and Electrochromics-Based Devices

This dissertation is focused on theoretical and experimental studies of optical properties of materials and multilayer structures composing liquid crystal displays (LCDs) and electrochromic (EC) devices. By applying spectroscopic ellipsometry, we have determined the optical constants of thin films of electrochromic tungsten oxide (WOx) and nickel oxide (NiOy), the films’ thickness and roughness. These films, which were obtained at spattering conditions possess high transmittance that is important for achieving good visibility and high contrast in an EC device. Another application of the general spectroscopic ellipsometry relates to the study of a photo-alignment layer of a mixture of azo-dyes SD-1 and SDA-2. We have found the optical constants of this mixture before and after illuminating it by polarized UV light. The results obtained confirm the diffusion model to explain the formation of the photo-induced order in azo-dye films. We have developed new techniques for fast characterization of twisted nematic LC cells in transmissive and reflective modes. Our techniques are based on the characteristics functions that we have introduced for determination of parameters of non-uniform birefringent media. These characteristic functions are found by simple procedures and can be utilised for simultaneous determination of retardation, its wavelength dispersion, and twist angle, as well as for solving associated optimization problems. Cholesteric LCD that possesses some unique properties, such as bistability and good selective scattering, however, has a disadvantage – relatively high driving voltage (tens of volts). The way we propose to reduce the driving voltage consists of applying a stack of thin (~1µm) LC layers. We have studied the ability of a layer of a surface stabilized ferroelectric liquid crystal coupled with several retardation plates for birefringent color generation. We have demonstrated that in order to accomplish good color characteristics and high brightness of the display, one or two retardation plates are sufficient.

Use of microprojectile bombardment in transient expression assays to analyze protochlorophyllide reductase gene expression in greening maize seedling leaf cells

In young cells of leaf meristems the progenitors of chloroplasts are small organelles known as proplastids, which divide and differentiate into chloroplasts. However, in the absence of light, proplastids undergo a different sequence of development and become etioplasts. When light is supplied to etiolated plants during the "greening" process, etioplasts differentiate into chloroplasts containing chlorophyll. An important light dependent step in chlorophyll biosynthesis is the photoreduction of protochlorophyllide to chlorophyllide by the NADPH:protochlorophyllide reductase (PCR) enzyme. This enzyme is present at high activity only in etiolated tissue and during early stages of light-induced chlorophyll synthesis. The enzyme and its corresponding mRNAs decrease dramatically with prolonged exposure to light. We have investigated the light-dependent transcriptional regulation of a PCR gene in greening maize leaf cells using a transient expression assay based on microprojectile bombardment. The promoter region was isolated and cloned into a ?-glucuronidase (GUS) reporter gene expression plasmid. We have used this chimeric plasmid in tungsten particle bombardment of both etiolated and greening maize seedling leaves to determine whether the cloned promoter region contains regulatory sequences that control light-responsive PCR gene expression.

Relacao entre o angulo da ponta do eletrodo e a geometria do cordao de solda no processo de soldagem tig

No processo de soldagem TIG (Tungstênio Inerte Gás), um dos fatores que influenciam o formato do cordão de solda é o ângulo da extremidade do eletrodo. Para estudar o comportamento do arco elétrico em função da geometria de ponta do eletrodo e suas conseqüências nos cordões de solda, efetuaram-se soldagens sobre corpos de prova sem deposição de material (bead-on-plate) através de parâmetros controlados e a mecanização do processo. Parâmetros tais como vazão do gás, velocidade de avanço da tocha e comprimento do arco foram testados para verificar a atuação em conjunto com o ângulo do eletrodo. Pela análise metalográfica (macrografia) estudaram-se os perfis dos cordões de solda, verificando-se que o ângulo exerce uma influência significativa na característica do arco tensão-corrente, na largura e profundidade de penetração da solda. Para maiores ângulos de extremidade do eletrodo obteve-se aumento na penetração, diminuição da tensão e largura do cordão de solda para uma mesma intensidade de corrente.

Estudo exploratório da deposição de filmes de diamante em alguns substratos cerâmicos

o presente trabalho é um estudo exploratório a respeito da síntese de filmes de diamante via deposiçãoquímica a vapor (CVD) sobre alguns substratos cerâmicos: diboreto de titânio (TiB2), ítria (Y20a), zircão (ZrSi04), zircônia parcialmente e totalmente estabilizada com ítria (Zr02), pirofilita ( Al2Si4OlO(OHh), .alumina (Al2Oa) e nitreto de boro hexagonal (h-BN). Estes substratos foram produzidos, em sua maioria, a partir da sinterização de pós micrométricos em altas temperaturas. Além do estudo em relação a possíveis candidatos alternativos ao tradicional silício para o crescimento de filmes auto-sustentáveis, procuramos encontrar substratos onde o filme aderisse bem e cujas propriedades tribológicas pudessem ser melhoradas com o recobrimento com filme de diamante.Dentre os materiais selecionados, constatamos que a topografia da superfície relacionada à densidade de contornos de grão, desempenha um papel relevante na nucleação do diamante. Além disso, os materiais que favorecem a formação de carbonetos conduziram a melhores resultados na nucleação e crescimento do filme, indicando que a ação da atmosfera reativa do CVD com o substrato também contribui decisivamente para o processo de nucleação. A partir dos resultados obtidos, concluímos que a aderência do filme de diamante ao zircão é excelente, assim como a qualidade do filme, o que pode serexplorado convenientemente caso as propriedades mecânicas do sinterizado de zircão sejam adequadas. No caso da zircônia parcialmente estabilizada, os resultados obtidos foram surpreendentes e este material poderia substituir o convencional substrato de silício para a deposição de filmes auto-sustentados de diamante, com inúmeras vantagens, dentre elas o fato de ser reutilizável e de não ser necessário ataque com ácidos para remoção do substrato, o que evita a geração de resíduos químicos.

Transformação genética em cevada por bombardeamento de partículas

A presente Tese de Doutorado objetivou: (1) definir um método eficiente de transformação genética, por bombardeamento de partículas, para a obtenção de plantas transgênicas de cultivares brasileiras de cevada e (2) identificar gene(s) codificante(s) de quitinase(s) potencialmente capaz(es) de conferir resistência ao fungo patogênico de cevada Bipolaris sorokiniana. Culturas de calos obtidos a partir de escutelos imaturos das cultivares Brasileiras de cevada MN-599 e MN-698 (Cia. de Bebidas das Américas, AMBEV) foram bombardeadas com partículas de tungstênio e avaliadas quanto à expressão do gene repórter gusA através de ensaios histoquímicos de GUS e quanto ao efeito dos bombardeamentos na indução estruturas embriogênicas e regeneração de plantas. As condições de biobalística analisadas incluíram a região promotora regulando a expressão de gusA, tipo e pressão de gás hélio de dois aparelhos de bombardeamento, distância de migração das partículas, número de tiros e a realização de pré e pós-tratamento osmótico dos tecidos-alvo. No presente trabalho foram obtidos um número bastante alto de pontos azuis por calo, a indução de calos embriogênicos e embriões somáticos em uma freqüência de até 58,3% e a regeneração de 60 plantas, sendo 43 de calos bombardeados. As melhores condições observadas foram o promotor e primeiro íntron do gene Adh de milho (plasmídeo pNGI), o aparelho de bombardeamento “ Particle Inflow Gun” (PIG) utilizando-se a distância de migração de partículas de 14,8 cm, dois tiros disparados por placa e a realização de tratamento osmótico dos explantes com 0,2 M de manitol e 0,2 M de sorbitol 4-5 horas antes e 17-19 horas depois dos bombardeamentos. Das 43 plantas obtidas de calos bombardeadas, 3 apresentaram atividade de GUS na base das suas folhas. A utilização de primers sintéticos definidos a partir de genes de quitinases descritos na literatura em PCRs resultou na amplificação de dois fragmentos de aproximadamente 700 e 500 pb a partir de DNA total das cvs. MN-599 e MN-698 de cevada e um fragmento, com aproximadamente 500 pb, a partir do DNA total do isolado A4c de Trichoderma sp. Estes fragmentos foram purificados dos géis de agarose e diretamente seqüenciados de forma manual e automática. Os fragmentos de 700 e 500 pb amplificados do genoma da cultivar MN-599 foram identificados como genes de quitinases de cevada e o fragmento de 500 pb do isolado A4c de Trichoderma sp. não apresentou homologia com seqüências conhecidas de quitinases depositadas no EMBL/GenBank. A utilização de novos pares de primers, representando seqüências conservadas de quitinases do fungo Metarhizium anisopliae, resultou na amplificação de 3 fragmentos a partir do DNA total do isolado A4b de Trichoderma sp., que estão sendo purificados para realização de seqüenciamento.

Comportamento de fundações superficiais apoiadas em aterros estabilizados com resíduos industriais

Neste trabalho foi estudado o comportamento de fundações superficiais apoiadas em sistema de dupla camada, quando a superior é cimentada. O estudo consistiu-se de três etapas, chamadas de Etapa de Laboratório, Etapa Numérica e Etapa de Campo. Na Etapa de Laboratório foi verificada a viabilidade técnica de utilizar os resíduos industriais cinza pesada e cal de carbureto na estabilização de um solo residual de arenito botucatu. Estudou-se a reatividade da cinza pesada com a cal de carbureto, a influência da temperatura e do tempo de cura no desenvolvimento das reações pozolânicas, a influência de diferentes teores de resíduos na resistência à compressão simples, compressão diametral e durabilidade, objetivando definir uma mistura ótima e, ainda, o impacto ambiental da utilização da mistura ótima, através de ensaios de lixiviação e solubilização. Na Etapa Numérica foi estudado, através do Método dos Elementos Finitos, o comportamento de fundações superficiais apoiadas em dupla camada. O modelo utilizado para representar o comportamento do material cimentado e não-cimentado foi o elástico-plástico com critério de ruptura de Drucker-Prager e fluxo não-associado. Verificou-se, através de análise paramétrica, a influência da espessura da camada cimentada e do diâmetro da fundação, bem como a influência dos parâmetros dos materiais cimentado e não-cimentado na resposta carga x recalque de fundações superficiais. Na Etapa de Campo foram construídos aterros experimentais utilizando a mistura ótima determinada na Etapa de Laboratório e, sobre estes aterros, foram executados provas de carga de placas. A análise dos resultados obtidos nas três etapas levou às seguintes conclusões: é possível utilizar cinza pesada e cal de carbureto para estabilizar o solo residual de botucatu; o comportamento de fundações superficiais sobre solos cimentados é controlado pela relação espessura da camada cimentada diâmetro da fundação; os parâmetros ângulo de atrito e módulo de elasticidade da camada cimentada não influenciam os resultados de prova de carga; a ruptura da fundação é função de dois mecanismos progressivos, os quais são função das tensões de tração geradas na parte inferior da camada cimentada e das tensões cisalhantes existentes logo abaixo das bordas da fundação.

Estudo da moagem de alta energia e sinterização de pós compósitos W-Cu

The Tungsten/copper composites are commonly used for electrical and thermal objectives like heat sinks and lectrical conductors, propitiating an excellent thermal and electrical conductivity. These properties are dependents of the composition, crystallite size and production process. The high energy milling of the powder of W-Cu produces an dispersion high and homogenization levels with crystallite size of W very small in the ductile Cu phase. This work discusses the effect of the HEM in preparation of the W-25Cu composite powders. Three techniques of powder preparation were utilized: milling the dry with powder of thick Cu, milling the dry with powder of fine Cu and milling the wet with powder of thick Cu. The form, size and composition of the particles of the powders milled were observed by scanning electron microscopy (SEM). The X-ray diffraction (XRD) was used to analyse the phases, lattice parameters, size and microstrain of the crystallite. The analyse of the crystalline structure of the W-25Cu powders milled made by Rietveld Method suggests the partial solid solubility of the constituent elements of the Cu in lattice of the W. This analyse shows too that the HEM produces the reduction high on the crystallite size and the increase in the lattice strain of both phases, this is more intense in the phase W

Estudo da sinterização do aço inox 316L reforçado com 3% Carbeto de Tântalo - TaC

The present work shows a contribution to the studies of development and solid sinterization of a metallic matrix composite MMC that has as starter materials 316L stainless steel atomized with water, and two different Tantalum Carbide TaC powders, with averages crystallite sizes of 13.78 nm and 40.66 nm. Aiming the metallic matrix s density and hardness increase was added different nanometric sizes of TaC by dispersion. The 316L stainless steel is an alloy largely used because it s high resistance to corrosion property. Although, its application is limited by the low wear resistance, consequence of its low hardness. Besides this, it shows low sinterability and it cannot be hardened by thermal treatments traditional methods because of the austenitic structure, face centered cubic, stabilized mainly in nickel presence. Steel samples added with TaC 3% wt (each sample with different type of carbide), following a mechanical milling route using conventional mill for 24 hours. Each one of the resulted samples, as well as the pure steel sample, were compacted at 700 MPa, room temperature, without any addictive, uniaxial tension, using a 5 mm diameter cylindrical mold, and quantity calculated to obtain compacted final average height of 5 mm. Subsequently, were sintered in vacuum atmosphere, temperature of 1290ºC, heating rate of 20ºC/min, using different soaking times of 30 and 60 min and cooled at room temperature. The sintered samples were submitted to density and micro-hardness analysis. The TaC reforced samples showed higher density values and an expressive hardness increase. The complementary analysis in optical microscope, scanning electronic microscope and X ray diffractometer, showed that the TaC, processed form, contributed with the hardness increase, by densification, itself hardness and grains growth control at the metallic matrix, segregating itself to the grain boarders