Influence of a co-substituted A-site on structural characteristics and ferroelectricity of (Pb, Ba, Ca)TiO3 complex perovskites: analysis of local-, medium- and long-range order

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

Long- and medium-range components of the nuclear force in quark-model based calculations

Quark-model descriptions of the nucleon-nucleon interaction contain two main ingredients, a quark-exchange mechanism for the short-range repulsion and meson exchanges for the medium- and long-range parts of the interaction. We point out the special role played by higher partial waves, and in particular the (1)F(3), as a very sensitive probe for the meson-exchange pan employed in these interaction models. In particular, we show that the presently available models fail to provide a reasonable description of higher partial waves and indicate the reasons for this shortcoming.

Short-range order kinetics in alpha-AgZn for various states of post-deformation defect annealing after cold-rolling

Kinetics of short-range ordering (SRO) in Ag with 21, 23 and 28 at% Zn is investigated by residual resistometry during isochronal and isothermal heat treatment for different states of post-deformation defect annealing after cold-rolling to about 30 and 60% thickness reduction. Resistivity changes due to pure ordering can be separated from the as-measured total resistivity change which includes defect annealing. Although the initial state of SRO of the as-rolled material can be estimated to be comparably low, for as-rolled and partially annealed states by appropriate thermal treatment evolution of SRO is achieved which corresponds quite well to that of recrystallized samples. It is observed, however, that quenched-in surplus vacancies contribute considerably to the ordering process for the recrystallized state and that this contribution is still increased by the grain growth during the final stage of annealing. It therefore turns out that SRO-kinetics under equilibrium vacancy conditions can be better observed in a state of post-deformation annealing, for which deformation induced point defects are annealed-out, but a relatively high dislocation density is still present to act as a vacancy sink. Copyright (C) 1996 Acta Metallurgica Inc.

Resistometric study of short-range order kinetics in alpha-AgZn

Short-range ordering (SRO) kinetics was investigated under temperature conditions of isochronal and isothermal annealing in completely recrystallized Ag-21, -23, -28 at.% Zn by residual resistometry. The SRO kinetics deviated considerably from a single exponential relaxation process and was therefore analysed using a log-normal spectrum of SRO relaxation times. This yields activation enthalpies for changes in the degree of SRO in good accordance with literature data. Isothermal SRO relaxation of undeformed samples was compared with that of cold-rolled and partially annealed samples.

Short Range Order Evolution in the Preparation of SnO2 Based Materials

The evolution of Eu3+ doped SnO2 xerogels to the cassiterite structure observed during sintering was studied by means of Eu3+ spectroscopy, XRD and EXAFS at the Sn K-edge. Eu3+ ions adsorbed at the surface of colloidal particles present a broad distribution of sites, typical of oxide glasses. With sintering at 300°C, this distribution is still broadened. Crystallization is clearly observed by the three techniques with increasing sintering temperature. It is found that the addition of Eu3+ limits the crystallite growth.

Structural characteristics of silica sonogels prepared with different proportions of TEOS and TMOS

Sonohydrolysis of mixtures of tetraethoxysilane (TEOS) and tetramethoxysilane (TMOS) with different TMOS/(TMOS + TEOS) molar ratio R was carried out to obtain similar to 2.0 x 10(-3) mol SiO2/cm(3) and similar to 86%-volume liquid phase wet gels. Aerogels were obtained by supercritical CO2 extraction in autoclave. The samples were analyzed by small-angle X-ray scattering (SAXS) and nitrogen adsorption. The structure of the wet gels can be described as a mass fractal structure with fractal dimension D similar to 2.2 and characteristic length increasing from similar to 4.6 nm for pure TEOS to similar to 6.4 nm for pure TMOS. A fraction of the porosity is eliminated with the supercritical process. The fundamental role of the TMOS/(TMOS + TEOS) molar ratio on the structure of the aerogels is to increase the porosity and the pore mean size as R changes from pure TEOS to pure TMOS. The supercritical process increases the mass fractal dimension and shortens the fractality domain in the mesopore region. A secondary structure appearing in the micropore region of the aerogels can be described as a mass/surface fractal structure with correlated mass fractal dimension D-m similar to 2.6 and surface fractal dimension D-s similar to 2.3. (C) 2007 Elsevier B.V. All rights reserved.

Structural studies on TeO2-PbO glasses

Binary tellurite-based glasses in the TeO2-PbO system were prepared and its structure investigated by means of Raman Scattering and X-ray Absorption Spectroscopy. Both spectroscopies indicate strong modifications of the first coordination shell around tellurium atoms when the PbO content increases revealing for lead its glassy network modifier role. Also, Pb L-3-edge EXAFS measurements reveal this structural role played by lead atoms, but the presence of a medium range order contribution indicates that lead also participates to the glassy network formation. (C) 2001 Elsevier B.V. Ltd. All rights reserved.

Local order around rare earth ions during the devitrification of oxyfluoride glasses

Erbium L-3-edge extended x-ray absorption fine structure (EXAFS) measurements were performed on rare earth doped fluorosilicate and fluoroborate glasses and glass ceramics. The well known nucleating effects of erbium ions for the crystallization of cubic lead fluoride (based on x-ray diffraction measurements) and the fact that the rare earth ions are present in the crystalline phase (as indicated by Er3+ emission spectra) seem in contradiction with the present EXAFS analysis, which indicates a lack of medium range structural ordering around the Er3+ ions and suggests that the lead fluoride crystallization does not occur in the nearest neighbor distance of the rare earth ion. Molecular dynamics simulations of the devitrification process of a lead fluoride glass doped with Er3+ ions were performed, and results indicate that Er3+ ions lower the devitrification temperature of PbF2, in good agreement with the experimental results. The genuine role of Er3+ ions in the devitrification process of PbF2 has been investigated. Although Er3+ ions could indeed act as seeds for crystallization, as experiments suggest, molecular dynamics simulation results corroborate the experimental EXAFS observation that the devitrification does not occur at its nearest neighbor distance. (c) 2008 American Institute of Physics.

Er3+ as marker for order-disorder determination in the PbTiO3 system

Er3+ ions were added to the PbTiO3 network using the polymeric precursor method to characterize the order-disorder transformation found in this material by means of experimental and theoretical approach. The disordered and ordered material structures were studied by photoluminescence measurements, X-ray diffraction (XRD) and U-V-visible spectroscopy. The Er3+ ions served as a marker to identify the structural short-range order beginning in the PbTiO3 matrix. From photoluminescence results it was concluded that disordered PbTiO3 powders have a certain short range order in the network that are undetected by XRD measurements. The electronic structures were calculated by the ab initio periodic method in DFT level with the non-local B3LYP hybrid approximation for the Ti atom site interpretation using density of states (DOS) results. This analysis enabled understanding that Ti atom sphere coordination can create possible states for radioactive return and trap of electron-holes pair. (c) 2007 Elsevier B.V. All rights reserved.

Residual and annual potassic fertilization for soybeans

There is a lack of long-term research on potassium fertilization for soybean in the tropical and subtropical soils of Brazil and the residual effect of the fertilizer has generally not been considered. An experiment was conducted in plots that had been fertilized with 0, 40, 80, 160 and 240 kg ha(-1) of K2O for 3 years on a Dark Red Latosol, loamy sand (Acrortox). The effects of annual or residual fertilization with those rates of K were studied for three additional years. Potassium was supplied as potassium chloride or potassium sulphate. Soil and leaf samples were taken annually. There was a residual effect of the nutrient, which provided for high yields up to the 3rd year with the highest rate of K. In order to maintain the K contents of the soil in the medium range and obtain at least 90% of the maximum grain yield, an annual application of 80 kg ha(-1) of K2O was necessary, irrespectively of the source. The highest soybean yields were always associated with K levels above 15 mg kg(-1) in the leaves and 1.2 mmol(c) dm(-3) in the soil.

Influence of the modifier on the short and long range disorder of stannate perovskites

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Interaction in culture medium of acttnomycetes and native fungi wtth rhizobia that form nodules in Neonotonia wighth lackley (perennial soybean)

The relationship between soil fungi and actinomycetes, with rhizobia that produce nodulation in Neonotonia wightii (perennial soybean) was studied in culture medium in order to obtain material to be used in mixed inoculations of this legume. A field experiment was designed to provide soil samples and isolate microorganisms belonging to these groups that are capable of interfering in the development of two selected rhizobium strains. Results show that the Bradyrhizobium strains used in the experiment, which are efficient in nodulation of Neonotonia wightii, are highly sensitive to substances produced in the culture medium by actinomycetes and fungi.

Local order of Pb1-xLaxZr0.40Ti 0.60O3 ferroelectric ceramic materials probed by X-ray absorption and Raman spectroscopies

This paper reports on the structural characterization of Pb 1-xLaxZr0.40Ti0.60O3 (PLZT) ferroelectric ceramic compositions prepared by the conventional solid state reaction method. X-ray absorption spectroscopy (XAS) and Raman spectroscopy were used to probe the local structure of PLZT samples that exhibits a normal and relaxor ferroelectric behavior. From the Zr K-edge and Pb LIII-edge EXAFS spectra, a considerable dissymmetry of Zr and Pb sites was observed in all samples, including those showing a long-range order cubic symmetry and a relaxor behavior. The Raman spectroscopy results confirmed the existence of a local disorder in all PLZT samples through the observation of Raman active vibrational modes. The variation in the intensity of the E(TO 3) mode in the PLZT relaxor samples indicates that the process of correlation between nanodomains stabilizes at temperatures lower than T m. © 2013 Elsevier B.V. All rights reserved.