Role of oxygen vacancies in the magnetic and dielectric properties of the high-dielectric-constant system CaCu3Ti4O12: An electron-spin resonance study

We report experiments of electron spin resonance (ESR) of Cu2+ in polycrystalline samples of CaCu3Ti4O12 post-annealed in different atmospheres. After being synthesized by solid state reaction, pellets of CaCu3Ti4O12 were annealed for 24 h at 1000 degrees C under air, Ar or O-2. Our temperature dependent ESR data revealed for all samples nearly temperature independent g value (2.15(1)) and linewidth for T > T-N approximate to 25 K. However, the values of ESR linewidth are strongly affected by the oxygen content in the sample. For instance, argon post-annealed samples show a much larger linewidth than the O-2 or air post-annealed samples. We attribute this broadening to an increase of the dipolar homogeneous broadening of the Cu2+ ESR lines due to the presence of oxygen vacancies which induce an S=1/2 spin inside the TiO6 octahedra. Correlation between a systematic dependence of the ESR linewidth on the oxygen content and the high dielectric constant of these materials is addressed. Also, ESR, magnetic susceptibility, and specific heat data for a single crystal of CaCu3Ti4O12 and for polycrystals of CdCu3Ti4O12 are reported.

Effect of the bath pH on the electrodeposition of nanocrystalline Pd-Co alloys and their magnetic properties

The effect of the bath pH on the electrodeposition of nanocrystalline Pd-Co alloys and on their magnetic properties was studied. The pH practically did not affect the alloy composition. Conversely, the pH showed a significant influence on the shape and size of crystallites. Two different crystallites morphology were observed depending on the bath pH. A crystallite size ranging from 18.2 to 30 nm was obtained from X-ray diffractometry (XRD) patterns using the Scherrer's method. Also from the XRD patterns the lattice strain percentage was calculated and correlated with the residual stress, which probably originated during the film electrodeposition on the substrate. Some alloy magnetic properties showed small variations. In contrast, high and unexpected coercivities were obtained reaching a maximum of 1.69 kOe at pH 5.5. The high coercivity values were attributed to the presence of residual stress at the film-substrate interface, which increased as the bath pH and crystallite size decrease, both of them contributing simultaneously to increase in coercivity. (C) 2006 Elsevier B.V. All rights reserved.

The influence of residual stress and crystallite size on the magnetic properties of electrodepo sited nanocrystalline Pd-Co alloys

Nanocrystalline Pd-Co alloys were obtained by electrodeposition from an ammoniacal chloride bath. The influence of the crystallite size and the residual stress on the magnetic properties of the alloys was investigated. The residual stress increased as the applied current density was increased. It was associated to the high nucleation rate during electrodeposition and correlated to the lattice strain, estimated from the XRD patterns. Also from the XRD patterns the average crystallite size and the lattice constant were determined by Scherrer's and Rietveld's methods, respectively. Both parameters were directly influenced by the applied current density. Magnetic properties such as coercivity, remanence, saturation magnetization and squareness showed strong dependence on the residual stress and crystallite size. Coercivity higher than 1 kOe was achieved when a high current density was applied. High coercivity was attributed to the presence of residual stress and to the small crystallite size of deposits. (C) 2007 Elsevier B.V. All rights reserved.

Electronic and structural properties of the (001) SrZrO3 surface

The structural and electronic properties of SrZrO3 selected surfaces were investigated by means of density functional theory applied to periodic calculations at B3LYP level. The relaxation effects for two symmetric and asymmetric terminations are analyzed. The electronic and energy band properties are discussed on the basis of band structure as well density of states. There is a more significant rumpling in the SrO as compared to the ZrO2 terminated surfaces. The calculated indirect gap is 4.856, 4.562, 4.637 eV for bulk, ZrO2 and asymmetric terminations, respectively. The gap becomes direct; 4.536 eV; for SrO termination. The contour in the (110) diagonal plane indicates a partial covalent character between Zr and 0 atoms for the SrO terminated surface. (c) 2007 Elsevier B.V. All rights reserved.

Design, manufacturing, and testing of a Nb3Sn coil employing Ti alloy as structural material

We describe the design, manufacturing, and testing results of a Nb3Sn superconducting coil in which TiAIV alloys were used instead of stainless steel to reduce the magnetization contribution caused by the heat treatment for the A-15 Nb-3 Sn phase formation that affects the magnetic field homogeneity. Prior to the coil manufacturing several structural materials were studied and evaluated in terms of their mechanical and magnetic properties in as-worked, welded, and heat-treated conditions. The manufacturing process employed the wind-and-react technique followed by vacuum-pressure impregnation(VPI) at 1 MPa atm. The critical steps of the manufacturing process, besides the heat treatment and impregnation, are the wire splicing and joint manufacturing in which copper posts supported by Si3N4 ceramic were used. The coil was tested with and without a background NbTi coil and the results have shown performance exceeding the design quench current confirming the successful coil construction.

Structural, microstructural, and transport properties of highly oriented LaNiO3 thin films deposited on SrTiO3(100) single crystal

Electrical conductive textured LaNiO3/SrTiO3 (100) thin films were successfully produced by the polymeric precursor method. A comparison between features of these films of LaNiO3 (LNO) when heat treated in a conventional furnace (CF) and in a domestic microwave (MW) oven is presented. The x-ray diffraction data indicated good crystallinity and a structural orientation along the (h00) direction for both films. The surface images obtained by atomic force microscopy revealed similar roughness values, whereas films LNO-MW present slightly smaller average grain size (similar to 80 nm) than those observed for LNO-CF (60-150 nm). These grain size values were in good agreement with those evaluated from the x-ray data. The transport properties have been studied by temperature dependence of the electrical resistivity rho(T) which revealed for both films a metallic behavior in the entire temperature range studied. The behavior of rho(T) was investigated, allowing to a discussion of the transport mechanisms in these films. (C) 2007 American Institute of Physics.

Structural Refinement and Photoluminescence Properties of MnWO4 Nanorods Obtained by Microwave-Hydrothermal Synthesis

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

Structural refinement and photoluminescence properties of irregular cube-like (Ca-1_Cu-x(x))TiO3 microcrystals synthesized by the microwave-hydrothermal method

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

New Ni(II)-sulfonamide complexes: Synthesis, structural characterization and antibacterial properties. X-ray diffraction of [Ni(sulfisoxazole)(2)(H2O)(4)] center dot 2H(2)O and [Ni(sulfapyridine)(2)]

The synthesis, structural characterization, voltammetric experiments and antibacterial activity of [Ni(sulfisoxazole)(2)(H2O)(4)] center dot 2H(2)O and [Ni(sulfapyridine)(2)] were studied and compared with similar previously reported copper complexes. [Ni(sulfisoxazole)(2)(H2O)(4)] center dot 2H(2)O crystallized in a monoclinic system, space group C2/c where the nickel ion was in a slightly distorted octahedral environment, coordinated with two sulfisoxazole molecules through the heterocyclic nitrogen and four water molecules. [Ni(sulfapyridine)(2)] crystallized in a orthorhombic crystal system, space group Pnab. The nickel ion was in a distorted octahedral environment, coordinated by two aryl amine N from two sulfonamides acting as monodentate ligands and four N atoms (two sulfonamidic N and two heterocyclic N) from two different sulfonamide molecules acting as bidentate ligands. Differential pulse voltammograms were recorded showing irreversible peaks at 1040 and 1070 mV, respectively, attributed to Ni(II)/Ni(III) process. [Ni(sulfisoxazole)(2)(H2O)(4)] center dot 2H(2)O and [Ni(sulfapyridine)(2)] presented different antibacterial behavior against Staphylococcus aureus and Escherichia coli from the similar copper complexes and they were inactive against Mycobacterium tuberculosis. (c) 2007 Elsevier B.V. All rights reserved.

Electronic and structural properties of the (10(1)over-bar0) and (11(2)over-bar0) ZnO surfaces

The structural and electronic properties of ZnO (10 (1) over bar0) and (11 (2) over bar0) surfaces were investigated by means of density functional theory applied to periodic calculations at B3LYP level. The stability and relaxation effects for both surfaces were analyzed. The electronic and energy band properties were discussed on the basis of band structure as well as density of states. There is a significant relaxation in the (10 (1) over bar0) as compared to the (11 (2) over bar0) terminated surfaces. The calculated direct gap is 3.09, 2.85, and 3.09 eV for bulk, (10 (1) over bar0), and (11 (2) over bar0) surfaces, respectively. The band structures for both surfaces are very similar.

Structural and properties of nanocrystalline WO3/TiO2-based humidity sensors elements prepared by high energy activation

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

Influence of different solvents on the structural, optical and morphological properties of CdS nanoparticles

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

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)

Structural and dielectric relaxor properties of yttrium-doped Ba(Zr0.25Ti0.75)O-3 ceramics

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

New chelate complexes of trivalent Y and lanthanides (Eu, Ho, Yb) with a triazene N-oxide: Synthesis, structural characterization and luminescence properties

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)