Luminescence quenching by iron in barium aluminoborate glasses

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Ashcroft model potential study of lattice dynamics of α-iron and barium

Ashcroft model potential has been used to compute phonon dispersion relations along the three principal symmetry directions, i.e. [k00], [kk0] and [kkk] for alpha-iron and barium. The computed phonons gave a reasonable agreement with the experimental ones in all the three principal summetry directions expect for the T-2 branch in [KK0] direction where the present study failed to reproduce the experimental findings.

Influence of strains and defects on ferroelectric and dielectric properties of thin-film barium-strontium titanates

Pristine, W and Mn 1% doped Ba(0.6)Sr(0.4)TiO(3) epitaxial thin films grown on the LaAlO(3) substrate were deposited by pulsed laser deposition (PLD). Dielectric and ferroelectric properties were determined by the capacitance measurements and X-ray diffraction was used to determine both residual elastic strains and defect-related inhomogeneous strains-by analyzing diffraction line shifts and line broadening, respectively. We found that both elastic and inhomogeneous strains are affected by doping. This strain correlates with the change in Curie-Weiss temperature and can qualitatively explain changes in dielectric loss. To explain the experimental findings, we model the dielectric and ferroelectric properties of interest in the framework of the Landau-Ginzburg-Devonshire thermodynamic theory. As expected, an, elastic-strain contribution due to the epilayer-substrate misfit has an important influence on the free-energy. However, additional terms that correspond to the defect-related inhomogeneous strain had to be introduced to fully explain the measurements.

Bound states of the barium atom by the hyperspherical approach

We present a nonadiabatic hyperspherical calculation of the highly excited and low lying doubly excited states of the barium atom using effective potentials for the two optically active electrons' interactions. Within the hyperspherical adiabatic approach the investigation of the spectra is performed with potential curves and nonadiabatic couplings of a unique radial variable, which allows clear identification of the states. The convergence of energy is obtained within well established bound limits, and the precision is comparable to accurate configuration interaction calculations. A very good agreement with experimental results is obtained with only few nonadiabatic couplings. (C) 2004 American Institute of Physics.

Experimental and theoretical study on the piezoelectric behavior of barium doped PZT

An experimental and theoretical study of the ferroelectric and piezoelectric behavior of PZT doped with barium is presented. Ab initio perturbed ion calculations was carried out. The properties, such as remnant polarization, coercive field and the coupling factor of the PZT at constant sintering temperature was compared with the Zr4+/Ti4+ ions dislocation energy and the lattice interaction energy. An agreement between the experimental and theoretical results, with a decrease of the interaction energy and an inversion of the energy stability from tetragonal to rhombohedral phase was observed. (C) 1999 Kluwer Academic Publishers.

Structural and electrical characterization of semiconducting barium-lead-titanate ceramics

BaTiO3 is usually doped to achieve the temperature stability required by device applications, as well as to obtain a large positive temperature coefficient anomaly of resistivity (PTCR). Uniform distribution of dopants among the submicron dielectric particles is the key for optimal control of grain size and microstructure to maintain a high reliability. The system Ba0.84Pb0.16TiO3 was synthesized from high purity BaCO3, TiO2, PbO oxide powders as raw materials. Sb2O3, MnSO4 and ZnO were used as dopants and Al2O3, TiO2 and SiO2 as grain growth controllers. Phase composition was analyzed by using XRD and the microstructure was investigated by SEM. EDS attached to SEM was used to analyze phase composition specially related to abnormal grain growth. Electrical resistivities were measured as a function of temperature and the PTCR effect characterized by an abrupt increase on resistivity.

Size effect on structure and dielectric properties of Nb-doped barium titanate

It is known that the dielectric properties of BaTiO3 (BT) are strongly dependent on its grain size. Coarse-grained ceramics of pure BT showed lower dielectric constant at room temperature then fine grained. Many authors considered that when the grain size is lower than 700 nm, the lattice of BT changes from tetragonal to pseudocubic, and the dielectric constant value is very low. In the doped BT this effect is more complex, because it is necessary to consider also the influence of dopants. The grain size effect on the structure and dielectric properties of niobium-doped barium titanate was investigated. Niobium-doped barium titanate was prepared from powders obtained by doping of commercial barium titanate and from organometallic complex using citrates as precursors (Pechini procedure). The crystal and microstructure of sintered niobium-doped barium titanate were determined. Dielectric constant and dissipation factor were measured. The observation confirmed that the structure and properties are strongly dependent on grain size. (C) 2003 Elsevier B.V. B.V. All rights reserved.

In vitro biocompatibility of a novel membrane of the composite poly(vinylidene-trifluoroethylene)/barium titanate

This study was aimed at investigating the in vitro biocompatibility of a novel membrane of the composite poly(vinylidene-trifluoroethylene)/barium titanate (P(VDF-TrFE)/BT). Osteoblastic cells were obtained from human alveolar bone fragments and cultured under standard osteogenic condition until subconfluence. First passaged cells were cultured on P(VDF-TrFE)/BT and expanded polytetrafluoroethylene (e-PTFE - control) membranes in 24-well plates. Cell adhesion and spreading were evaluated at 30 min, and 4 and 24 h. For proliferation assay, cells were cultured for 1, 7, and 10 days. Cell viability was detected by trypan blue at 7 and 10 days. Total protein content and alkaline phosphatase (ALP) activity were measured at 7, 14, and 21 days. Cultures were stained with Alizarin red at 21 days, for detection of mineralized matrix. Data were compared by ANOVA and Student t test. Cell attachment (p = 0.001), cell number (p = 0.001), and ALP activity (p = 0.0001) were greater on P(VDF-TrFE)/BT. Additionally, doubling time was greater on P(VDF-TrFE)/BT (p = 0.03), indicating a decreased proliferation rate. Bone-like nodule formation took place only on P(VDF-TrFE)/BT. The present results showed that both membranes are biocompatible. However, P(VDF-TrFE)/BT presented a better in vitro biocompatibility and allowed bone-like nodule formation. Therefore, P(VDF-TrFE)/BT could be an alternative membrane to be used in guided tissue regeneration. (c) 2006 Wiley Periodicals, Inc.

Mechanochemical synthesis of barium titanate

A powder mixture of BaO and TiO2, was mechanochemically treated in a planetary ball mill in an air atmosphere for up to 4 h, using zirconium oxide vial and zirconium oxide balls as the milling medium. Mechanochemical reaction leads to the gradual formation of BaTiO3 phase. Phase evolution during synthesis and changes in powder size and morphology were monitored by XRD, DSC, IR and TEM analysis and it was shown that the formation of BaTiO3 phase was initiated after 60 min. Extended time of milling directed to formation of higher amount of BaTiO3 perovskite phase. Barium titanate with good crystallinity was formed after 240 min sintering without pre-calcination step was performed at 1330 degrees C for 2 It within heating rate 10 degrees C/min. (c) 2005 Elsevier Ltd. All rights reserved.

Barium strontium titanate powder obtained by polymeric precursor method

Pure barium strontium titanate powder, with Ba/Sr ratio of 80/20 was prepared by the polymeric precursor method (also called Pechini process). The powder was obtained after a calcination at 800 degreesC for 8 h and characterized by XRD, IR, BET and SEM. The requirements to avoid barium carbonate as a secondary phase are presented and discussed in detail. (C) 2003 Elsevier B.V. All rights reserved.

Theoretical and experimental study of the relation between photoluminescence and structural disorder in barium and strontium titanate thin films

Thin films of barium and strontium titanate (BST), synthesized by the polymeric precursor solution and spin coated on [Pt (140nm)/Ti (10 nM)/SiO2(1000 nm)/Si] substrates were found to be photoluminescent at room temperature when heat treated below 973 K, i.e. before their crystallization. First principles quantum mechanical techniques, based on density functional theory (DFT) were employed to study the electronic structure of two periodic models: one is standing for the crystalline BST thin film and the other one for the structurally disordered thin film. The aim is to compare the photoluminescence (PL) spectra of the crystalline and disordered thin films with their UV-vis spectra and with their computed electronic structures. The calculations show that new localized states are created inside the band gap of the crystalline model, as predicted by the UV-vis spectra. The study of the charge repartition in the structure before and after deformation of the periodic model shows that a charge gradient appears among the titanate clusters. This charge gradient, together with the new localized levels, gives favorable conditions for the trapping of holes and electrons in the structure, and thus to a radiative recombination process. Our models are not only consistent with the experimental data, they also allow to explain the relations between structural disorder and photoluminescence at room temperature. (c) 2005 Elsevier Ltd. All rights reserved.

Ferroelectric properties of mechanically synthesized nanosized barium titanate

Barium titanate ceramics were prepared through mechanochemical synthesis starting from fresh prepared barium oxide and titanium oxide in rutile form. Mixture of oxides was milled in zirconia oxide jar in the planetary ball-mill during 30, 60, 120 and 240 min. Extended time of milling directed to formation of higher amount of barium titanate perovskite phase. Barium titanate with good crystallinity was formed after 240 min. Sintering without pre-calcinations step was performed at 1330 degrees C for 2 hours with heating rate of 10 degrees C/min. The XRD, DSC, IR and TEM analyses were performed. Electric and ferroelectric properties were studied. Very well defined hysteresis loop was obtained.

Barium strontium titanate nanocrystalline thin films prepared by soft chemical method

Barium strontium titanate (Ba0.65Sr0.35TiO3) nanocrystalline thin films, which were produced by the soft chemical method, were crystallized at low temperature using a domestic microwave oven. A SiC susceptor were used to absorb the microwave energy and rapidly transfer the heat to the film. Low microwave power and short time have been used. The films obtained are crack-free, well-adhered, and fully crystallized. The microstructure displayed a polycrystalline nature with nanograin size. The metal-BST-metal structure of the thin films treated at 700 degrees C show food electric properties. The ferroelectric nature of the BST35 thin film was indicated by buttertly- shaped C-V curves. The capacitance-frequency curves reveal that the dielectric constant may reach a value up to 800 at 100kHz. The dissipation factor was 0.01 at 100kHz. The charge storage density as function of applied voltage graph showed that the charge storage densities are suitable for use in trench type 64 Mb ( 1-5 mu C/cm(2) and 265 Mb (2-11 mu C/cm(2)) DRAMs. (C) 2007 Elsevier Ltd. All rights reserved.

Barium titanate screen-printed thick films

Barium titanate (BT) thick films were prepared from mechanically activated powders based on BaCO(3) and TiO(2). After homogenization and milling in a high-energy vibro mill, the powders were calcined at 700 degreesC for 2 h by slow heating and cooling rates. A thick film paste was prepared by mixing BT fine powders with small amount of low temperature sintering aid and organic binder. The thick films were screen-printed on alumina substrates electroded with Ag-Pd. The BT films were sintered at 850 degreesC for 1 h. The thickness was 25-75 mum depending of number of layers. The microstructure of thick films and the compatibility between BT layers and substrate were investigated by SEM Results of dielectric property measurements are also reported. (C) 2002 Elsevier B.V. Ltd and Techna S.r.l. All rights reserved.

A kinetic study of the effect of ultrasound power on the sonohydrolysis of tetraethyl orthosilicate

A kinetic study of the ultrasound-stimulated and acid-catalyzed sonohydrolysis of tetraethyl orthosilicate (TEOS) in solventless TEOS-water heterogeneous mixtures was carried out by means of a calorimetric method as a function of the ultrasound power. The hydrolysis reaction starts in acidulated heterogeneous water-TEOS mixtures after an induction period under ultrasonic stimulation. The ultrasound power seems to play a role on the dynamical coupling of the system originating a continuum upward shifting of the base line during the induction period of sonication. The rate in which the base line is upward shifted diminishes with the power. The best coupling between the ultrasound and the reactant heterogeneous mixtures for this experimental setup was found to occur at 50 W, for which the gelation time was found to be a minimum. The kinetics of the heterogeneous TEOS sonohydrolysis was studied on the basis of a dissolution and reaction modeling. The heterogeneous reaction pathway as deduced from the kinetic study was drawn in a ternary diagram as a function of the ultrasound power. (C) 2006 Elsevier B.V. All rights reserved.