Writing saturated holograms in LiNbO3 crystals through phase control and double diffraction

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

The open-ended photothermal cell with LiTaO3 and its use in determining the photochemical loss

Comparative determinations of the noise equivalent power (NEP) of open-ended photothermal cells are performed using LiTaO3 and LiNbO3 crystals with and without indium tin oxide (ITO) transparent electrodes. Open-ended cells can be used for in vivo measurements, which are important when considering the achievability for continuous monitoring of a plant, verifying, for example, the effect of water stress or UV-B radiation on a leaf. We also show the results obtained with one of these cells in the determination of photochemical loss of plant leaves. (c) 2007 Elsevier B.V. All rights reserved.

REACTIONS OF MERCURIC ACETATE WITH PENTACARBONYLIRON IN ALCOHOLS - CRYSTAL AND MOLECULAR-STRUCTURES OF HG[FE(COOR)(CO)(4)](2) (R=CH3, C2H5)

Reactions of Hg(CH3COO)(2) with [Fe(CO)(5)] in MeOH and EtOH lead to the compounds Hg[Fe(COOR)(CO)(4)](2) (I for R = CH3 and II for R = C2H5). Crystals of I are triclinic, P (1) over bar, with a = 6.272(2), b = 6.441(3), c = 11.703(4) Angstrom, a = 92.94(3)degrees, beta = 103.77(3)degrees, gamma = 96.10(2)degrees, and Z = 1. Crystals of II are tetragonal, I4(1)/a, with a = 17.906(3) Angstrom, c = 12.756(2) Angstrom, and Z = 8. The geometry around Hg is linear for compound I and approximately linear for compound II. The Hg-Fe distances are 2.5716(8) and 2.575(4) Angstrom for compounds I and II, respectively. The geometry around the Fe in both compounds is approximately octahedral. The carboalkoxy group is cis to Hg in both compounds with Fe-C distances equal to 2.034(6) and 2.05(4) Angstrom for compounds I and II, respectively.

Effect of different surfactants on the shape, growth and photoluminescence behavior of MnWO4 crystals synthesized by the microwave-hydrothermal method

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Electro-precipitation of Fe(3)O(4) nanoparticles in ethanol

The preparation of superparamagnetic magnetite (Fe(3)O(4)) nanoparticles by electro-precipitation in ethanol is proposed. Particle average size can be set from 4.4 to 9 nm with a standard deviation around 20%. Combination of wide-angle X-ray scattering (WAXS), Electron energy loss spectroscopy (EELS) and Mossbauer spectroscopy characterizations clearly identifies the particles as magnetite single-crystals (Fe(3)O(4)). (C) 2008 Elsevier B.V. All rights reserved.

Structural refinement, growth process, photoluminescence and photocatalytic properties of (Ba1-xPr2x/3)WO4 crystals synthesized by the coprecipitation method

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

X-ray-induced conductivity in iron-doped lithium niobate crystals

Illumination of photorefractive, iron-doped lithium niobate crystals (LiNbO 3:Fe) with x-rays generates a conductivity that we determine from the speed of hologram erasure. The doping levels of the crystals and the acceleration voltage of our x-ray tube are varied. A theoretical model is presented, which describes the obtained results. A decrease of the conductivity with increasing Fe 2+ concentration can be explained by assuming that holes are the dominant charge carriers for this short-wavelength illumination.

Structural refinement and photoluminescence properties of cube-like (Ca 1-xCu x)TiO 3 crystals synthesized by the microwave-hydrothermal method

In this work, (Ca 1-xCu x)TiO 3 crystals with (x = 0, 0.01 and 0.02), labeled as CTO, CCTO1 and CCTO2, were synthesized by the microwave-hydrothermal method at 140°C for 32 min. XRD patterns (Fig. 1), Rietveld refinement and FT-Raman spectroscopy indicated that these crystals present orthorhombic structure Pbnm. Micro-Raman and XANES spectra suggested that the substitution of Ca by Cu in A-site promoted a displacement of the [TiO6]-[TiO6] clusters adjacent from its symmetric center, which leads distortions on the [CaO 12] clusters neighboring and consequently cause the strains into the CaTiO3 lattice. FE-SEM images showed that these crystals have an irregular shape as cube like probably indicating an Ostwald-ripening and self-assemble as dominant mechanisms to crystals growth. The powders presented an intense PL blue-emission.

Rietveld refinement, morphology and optical properties of (Ba 1-xSrx)MoO4 crystals

In this article, the structural refinement, morphology and optical properties of barium strontium molybdate [(Ba1-x Sr x )MoO4 with x = 0, 0.25, 0.50, 0.75 and 1] crystals, synthesized by the co-precipitation (drop-by-drop) method, are reported. The crystals obtained were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, and Fourier transform-Raman (FT-Raman) and Fourier transform-infrared (FT-IR) spectroscopies. The shapes of the crystals were observed by means of field-emission scanning electron microscopy (FE-SEM). The optical properties were investigated using ultraviolet-visible (UV-Vis) absorption spectroscopy and photoluminescence (PL) measurements. XRD patterns, Rietveld refinement, and FT-Raman and FT-IR spectra showed that all of the crystals are monophasic with a scheelite-type tetragonal structure. The refined lattice parameters and atomic positions were employed to model the [BaO8], [SrO8] and [MoO4] clusters in the tetragonal lattices. The FE-SEM images indicate that increased x content produces a decrease in the crystal size and modifications in the crystal shape. UV-Vis spectra indicated a decrease in the optical band gap with an increase in x in the (Ba1-x Sr x )MoO4 crystals. Finally, a decrease in the intensity of PL emission is apparent with an increase in x up to 0.75 in the (Ba1-x Sr x )MoO4 crystal lattice when excited by a wavelength of 350nm, probably associated with the degree of structural order-disorder. © 2013 International Union of Crystallography Printed in Singapore - all rights reserved.

Bioactivity of pyridine-2-thiolato-1-oxide metal complexes: Bi(III), Fe(III) and Ga(III) complexes as potent anti-Mycobacterium tuberculosis prospective agents

In the search for new therapeutic tools against tuberculosis and to further address the therapeutic potential of pyridine-2-thiol 1-oxide (Hmpo) metal complexes, two new octahedral [M(III)(mpo)3] complexes, with M = Ga or Bi, were synthesized and characterized in the solid state and in solution. Attempts to crystallize [Ga(III)(mpo)3] in CH2Cl2 led to single crystals of the reaction product [GaCl(mpo)2], where the gallium(III) ion is in a square basis pyramidal environment, trans-coordinated at the basis to two pyridine-2-thiolato 1-oxide anions acting as bidentate ligands through their oxygen and sulfur atoms. The biological activity of the new [M(III)(mpo)3] complexes together with that of the previously reported Fe(III) analogous compound and the pyridine-2-thiol 1-oxide sodium salt (Na mpo) was evaluated on Mycobacterium tuberculosis. The compounds showed excellent activity, both in the standard strain H37Rv ATCC 27294 (pan-susceptible) and in five clinical isolates that are resistant to the standard first-line anti-tuberculosis drugs isoniazid and rifampicin. These pyridine-2-thiol 1-oxide derivatives are promising compounds for the treatment of resistant tuberculosis.

Operational parameters of soybean seeding in santa fe system

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Exigências de minerais para cabras durante a gestação: Na, K, Mg, S, Fe e Zn

O trabalho foi realizado com o objetivo de estimar a retenção e a exigência líquida dos minerais Na, K, Mg, S, Fe e Zn durante a gestação de cabras com um ou dois fetos. A estimativa de retenção foi baseada na diferença entre o total de cada mineral depositado no feto, útero, membranas, fluídos fetais e glândula mamária dos animais nas diferentes etapas da gestação e o total de cada mineral armazenado nas cabras vazias, utilizando-se o modelo de predição ln=A+Bx+Cx2, em que x=tempo de gestação. Os conteúdos de Na, K, Mg, S, Fe e Zn, durante as gestações de um e dois fetos foram de: 13,2 e 21,4 mg; 13,3 e 21,3 g; 2,1 e 3,7 mg; 5,5 e 9,3 mg; 575,5 e 981,0 mg; 112,6 e 164,7 mg nas gestações, resultando em exigências líquidas diárias de 0,13 e 0,11 g; 0,21 e 0,31 g; 0,06 e 0,11g; 0,17 e 0,21 g; 22,94 e 40,51 mg; 2,63 e 2,78 mg, respectivamente.

Influência dos Íons Mg, Ca, Fe, Cu e Zn sobre a tensão superficial estática de soluções contendo surfatante

O objetivo do estudo foi avaliar a influência da presença de cinco íons em uma calda de pulverização contendo o surfatante Aterbane. A tensão superficial foi analisada por meio da medição da massa de um conjunto de 25 gotas, com quatro repetições constituindo um tratamento. O trabalho foi dividido em duas etapas. Na primeira, os tratamentos foram combinados em esquema fatorial 9x5x2, sendo nove concentrações do surfatante Aterbane (0,01; 0,025; 0,05; 0,1; 0,2; 0,5; 1; 2; e 3%), cinco íons (Mg++, Ca++, Fe+++, Cu+++ e Zn+++) e duas concentrações desses elementos (10 e 100 ppm). Na segunda etapa, os tratamentos foram combinados em esquema fatorial 5x5x1, utilizandose os mesmos cinco elementos (Mg++, Ca++, Fe+++, Cu+++ e Zn+++), em cinco concentrações (1, 5, 20, 50 e 200 ppm), com apenas uma concentração do surfatante Aterbane (0,025%). Outros nove tratamentos permitiram avaliar as tensões superficiais das concentrações do surfatante (0,01; 0,025; 0,05; 0,1; 0,2; 0,5; 1; 2; e 3%) sem a adição dos íons. Os resultados mostraram que houve interferência dos íons sobre as soluções, já que, com exceção do Fe+++ (na concentração de 10 e 100 ppm) e do Cu+++ (na concentração de 100 ppm), todos os íons reduziram a tensão mínima alcançada e aumentaram a eficiência do surfatante, implicando benefícios à ação do surfatante e sobre as características de possíveis soluções de aplicação. Todos os íons avaliados promoveram reduções nas tensões superficiais de soluções do surfatante na concentração de 0,025%.

Wannier functions of isolated bands in one-dimensional crystals

We present a simple procedure to obtain the maximally localized Wannier function of isolated bands in one-dimensional crystals with or without inversion symmetry. First, we discuss the generality of dealing with real Wannier functions. Next, we use a transfer-matrix technique to obtain nonoptimal Bloch functions which are analytic in the wave number. This produces two classes of real Wannier functions. Then, the minimization of the variance of the Wannier functions is performed, by using the antiderivative of the Berry connection. In the case of centrosymmetric crystals, this procedure leads to the Wannier-Kohn functions. The asymptotic behavior of the Wannier functions is also analyzed. The maximally localized Wannier functions show the expected exponential and power-law decays. Instead, nonoptimal Wannier functions may show reduced exponential and anisotropic power-law decays. The theory is illustrated with numerical calculations of Wannier functions for conduction electrons in semiconductor superlattices.

Toward an understanding of intermediate- and short-range defects in ZnO single crystals. A combined experimental and theoretical study

A joint use of experimental and theoretical techniques allows us to understand the key role of intermediate- and short-range defects in the structural and electronic properties of ZnO single crystals obtained by means of both conventional hydrothermal and microwave-hydrothermal synthesis methods. X-ray diffraction, Raman spectra, photoluminescence, scanning electronic and transmission electron microscopies were used to characterize the thermal properties, crystalline and optical features of the obtained nano and microwires ZnO structures. In addition, these properties were further investigated by means of two periodic models, crystalline and disordered ZnO wurtzite structure, and first principles calculations based on density functional theory at the B3LYP level. The theoretical results indicate that the key factor controlling the electronic behavior can be associated with a symmetry breaking process, creating localized electronic levels above the valence band.