Characterization of micro-bubble size distribution and flow configuration in DAF contact zone by a non-intrusive image analysis system and tracer tests

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

NMR study of styrene-butadiene rubber (SBR) and TiO2 nanocomposites

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

Ferroelectric characteristics of SrBi4Ti4O15 thin films grown on Pt/Ti/SiO2/Si substrates by the soft chemical method

Ferroelectric SrBi4Ti4O15 thin films were successfully prepared on a Pt(111)/Ti/SiO2/Si(100) substrate for the first time by spin coating, using the polymeric precursor method. X-ray diffraction patterns of the films indicate that they are polycrystalline in nature. Atomic force microscopy (AFM) analyses showed that the surface of these films is smooth, dense and crack-free with low surface roughness (6.4 nm). At room temperature and at a frequency of 1 MHz, the dielectric constant and the dissipation factor were, respectively, 150 and 0.022. The C-V characteristics of perovskite thin film prepared at low temperature show normal ferrolectric behaviour. The remanent polarization and coercive field for the films deposited were 5.4 mu C/cm(2) and 8 5 kV/cm, respectively. All the capacitors showed good polarization fatigue characteristics at least up to 1 x 10(10) bipolar pulse cycles indicating that SrBi4Ti4O15 thin films can be a promising material for use in nonvolatile memories. (c) 2005 Elsevier B.V. All rights reserved.

Ferroelectric and dielectric properties of Ba0.5Sr0.5(Ti0.80Sn0.20)O-3 thin films grown by the soft chemical method

Polycrystalline Ba0.5Sr0.5(Ti0.80Sn0.20)O-3 (BST:Sn) thin films with a perovskite structure were prepared by the soft chemical method on a platinum-coated silicon substrate from spin-coating technique. The resulting thin films showed a dense structure with uniform grain size distribution. The dielectric constant of the films estimated from C-V curve is around 1134 and can be ascribed to a reduction in the oxygen vacancy concentration. The ferroelectric nature of the film indicated by butterfly-shaped C-V curves and confirmed by the hysteresis curve, showed remnant polarization of 14 mu C/cm(2) and coercive field of 74 kV/cm at frequency of 1 MHz. At the same frequency, the leakage current density at 1.0 V is equal to 1.5 x 10(-7) A/cm(2). This work clearly reveals the highly promising potential of BST:Sn for application in memory devices. (c) 2006 Elsevier B.V. All rights reserved.

Structural XANES characterization of Ca0.99Sm0.01TiO3 perovskite and correlation with photoluminescence emission

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

Gaussian basis sets to the theoretical study of the electronic structure of perovskite (LaMnO3)

The Generator Coordinate Hartree-Fock (GCHF) method is applied to generate extended (20s14p), (30s19p13d), and (31s23p18d) Gaussian basis sets for the 0, Mn, and La atoms, respectively. The role of the weight functions (WFs) in the assessment of the numerical integration range of the GCHF equations is shown. These basis sets are then contracted to [5s3p] and [11s6p6d] for 0 and Mn atoms, respectively, and [17s11p7d] for La atom by a standard procedure. For quality evaluation of contracted basis sets in molecular calculations, we have accomplished calculations of total and orbital energies in the Hartree-Fock-Roothaan (HFR) method for (MnO1+)-Mn-5 and (LaO1+)-La-1 fragments. The results obtained with the contracted basis sets are compared with values obtained with the extended basis sets. The addition of one d polarization function in the contracted basis set for 0 atom and its utilization with the contracted basis sets for Mn and La atoms leads to the calculations of dipole moment and total atomic charges of perovskite (LaMnO3). The calculations were performed at the HFR level with the crystal [LaMnO3](2) fragment in space group C-2v the values of dipole moment, total energy, and total atomic charges showed that it is reasonable to believe that LaMnO3 presents behaviour of piezoelectric material. (C) 2003 Elsevier B.V. All rights reserved.

Spin reversal and magnetization jumps in ErMexMn1-xO3 perovskites (Me = Ni, Co)

The erbium-based manganite ErMnO3 has been partially substituted at the manganese site by the transition-metal elements Ni and Co. The perovskite orthorhombic structure is found from x(Ni) = 0.2-0.5 in the nickel-based solid solution ErNixMn1-xO3, while it can be extended up to x(Co) = 0.7 in the case of cobalt, provided that the synthesis is performed under oxygenation conditions to favor the presence of Co3+. Presence of different magnetic entities (i.e., Er3+, Ni2+, Co2+, Co3+, Mn3+, and Mn4+) leads to quite unusual magnetic properties, characterized by the coexistence of antiferromagnetic and ferromagnetic interactions. In ErNixMn1-xO3, a critical concentration x(crit)(Ni) = 1/3 separates two regimes: spin-canted AF interactions predominate at x < x(crit), while the ferromagnetic behavior is enhanced for x > x(crit). Spin reversal phenomena are present both in the nickel- and cobalt-based compounds. A phenomenological model based on two interacting sublattices, coupled by an antiferromagnetic exchange interaction, explains the inversion of the overall magnetic moment at low temperatures. In this model, the ferromagnetic transition-metal lattice, which orders at T-c, creates a strong local field at the erbium site, polarizing the Er moments in a direction opposite to the applied field. At low temperatures, when the contribution of the paramagnetic erbium sublattice, which varies as T-1, gets larger than the ferromagnetic contribution, the total magnetic moment changes its sign, leading to an overall ferrimagnetic state. The half-substituted compound ErCo0.50Mn0.50O3 was studied in detail, since the magnetization loops present two well-identified anomalies: an intersection of the magnetization branches at low fields, and magnetization jumps at high fields. The influence of the oxidizing conditions was studied in other compositions close to the 50/50 = Mn/Co substitution rate. These anomalies are clearly connected to the spin inversion phenomena and to the simultaneous presence of Co2+ and Co3+ magnetic moments. Dynamical aspects should be considered to well identify the high-field anomaly, since it depends on the magnetic field sweep rate. (C) 2006 Elsevier B.V. All rights reserved.

Characterization of BaTi1-xZrxO3 thin films obtained by a soft chemical spin-coating technique

Single-phase perovskite structure BaZrxTi1-xO3 (BZT) (0.05less than or equal toxless than or equal to0.25) thin films were deposited on Pt-Ti-SiO2-Si substrates by the spin-coating technique. The structural modifications in the thin films were studied using x-ray diffraction and micro-Raman scattering techniques. Lattice parameters calculated from x-ray data indicate an increase in lattice (a axis) with the increasing content of zirconium in these films. Such Zr substitution also result in variations of the phonon mode wave numbers, especially those of lower wave numbers, for BaZrxTi1-xO3 thin films, corroborate to the structural change caused by the zirconium doping. on the other hand, Raman modes persist above structural phase transition, although all optical modes should be Raman inactive in the cubic phase. The origin of these modes must be interpreted as a function of a local breakdown of the cubic symmetry, which could be a result of some kind of disorder. The BZT thin films exhibited a satisfactory dielectric constant close to 181-138, and low dielectric loss tan delta<0.03 at the frequency of 1 kHz. The leakage current density of the BZT thin films was studied at elevated temperatures and the data obey the Schottky emission model. Through this analysis the Schottky barrier height values 0.68, 1.39, and 1.24 eV were estimated to the BZT5, BZT15, and BZT25 thin films, respectively. (C) 2004 American Institute of Physics.

Influence of the solution pH on the morphological, structural and electrical properties of Bi3.50La0.50Ti3O12 thin films obtained by the polymeric precursor method

Lanthanum-doped Bi4Ti3O12 thin films (BLT) were deposited on Pt/Ti/SiO2/Si substrates using a polymeric precursor solution. The spin-coated films were specular, crack-free and crystalline after annealing at 700 degrees C for 2 h. Crystallinity and morphological evaluation were examined by X ray diffraction (YRD) and atomic force microscopy (AFM). The stability of the formed complex is of extreme importance for the formation of the perovskite phase. Films obtained from acid pH solution present elongated grains around 200 ran in size, whereas films obtained from basic solution present a dense microstructure with spherical grains (100 nm). The dielectric and ferroelectric properties of the BLT films are strongly affected by the solution pH. The hysteresis loops are fully saturated with a remnant polarization and coercive voltage of P-r=20.2 mu C/cm(2) and V-c = 1.35 V and P-r= 15 mu C/cm(2) and V-c = 1.69 V for the films obtained from basic and acid solutions, respectively. (C) 2005 Elsevier B.V. All rights reserved.

Investigation of piezoelectricity in perovskite (LaFeO3): A theoretical study

In a previous report we studied theoretically the piezoelectric effect in barium titanate (BaTiO3) [O. Treu Filho, J.C. Pinheiro, R.T. Kondo, J. Mol. Struct. (THEOCHEM), 671 (2004) 71]. In this article we applied the Hartree-Fock (HF) theory in the investigation of piezoelectricity in LaFeO3. Initially, the generator coordinate HF (GCHF) method was used to build 22s14p, 30s19p13d, and 32s24p17d Gaussian basis sets for O(3p), Fe(D-5), and La(D-2) atoms. Then those basis sets were contracted to [7s6p], [13s8p6d], and [18s13p7d], respectively. The quality of the contracted basis sets in polyatomic calculations was evaluated through calculations of total and orbital energies (HOMO and HOMO-1) of (FeO1+)-Fe-2 and (LaO1+)-La-1. Finally, the contracted basis sets were supplemented with polarization and diffuse functions and used to investigate the piezoelectricity in LaFeO3. The calculated properties were dipole moment, total energy, and atomic charges and the analysis of those properties showed that covalent bonds constitute the electronic structure of [LaFCO3](2) fragment. Therefore, it is reasonable to believe that LaFeO3 does not present piezoelectric properties. (C) 2006 Elsevier B.V. All rights reserved.

Effect of the heat flux direction on electrical properties of SrBi2Nb2O9 thin films crystallized using a microwave oven

Ferroelectric SrBi2Nb2O9 (SBN) thin films were prepared by the polymeric precursors method and deposited by spin coating onto Pt/Ti/SiO2/Si substrate and crystallized using a domestic microwave oven. It was studied the influence of the heat flux direction and the duration of the thermal treatment on the films crystallization. An element with high dielectric loss, a SiC susceptor, was used to absorb the microwave energy and transfers the heat to the film. Influence of the susceptor position to the sample crystallization was verified, the susceptor was, placed or below the substrate or above the film. The SBN perovskite phase was observed after a thermal treatment at 700 degreesC for 10 min when the susceptor was placed below the substrate and for 30 min when the susceptor was placed above the film. Electrical measurements revealed that the film crystallized at 700 degreesC for 10 min, with the susceptor placed below the film, presented dielectric constant, dielectric loss, remanent polarization and coercive field of, 67, 0.011, 4.2 muC/cm(2) and 27.5 kV/cm, respectively. When the films were crystallized at 700 degreesC for 30 min, with the susceptor placed above the film, the dielectric constant was 115 and the dissipation factor was around of 0.033, remanent polarization and coercive field were 10.8 muC/cm(2) and 170 kV/cm, respectively. (C) 2003 Elsevier B.V. All rights reserved.

High Curie point CaBi2Nb2O9 thin films: A potential candidate for lead-free thin-film piezoelectrics

CaBi2Nb2O9 (CBNO) thin films deposited on platinum coated silicon substrates by the polymeric precursor method exhibited good structural, dielectric, and piezoelectric characteristics. Capacitance-voltage measurements indicated good ferroelectric polarization switching characteristics. Remanent polarization and drive voltage values were 4.2 mu C/cm(2) and 1.7 V for a maximum applied voltage of 10 V. The film has a piezoelectric coefficient d(33) equal to 60 pm/V, current density of 0.7 mu A/cm(2), and Curie temperature of 940 degrees C. The polar-axis-oriented CBNO is a promising candidate for use in lead-free high Curie point in ferroelectric and piezoelectric devices. (c) 2006 American Institute of Physics.

VACUUM POLARIZATION TENSOR IN 3-DIMENSIONAL QUANTUM ELECTRODYNAMICS

We evaluate the one-loop vacuum polarization tensor for three-dimensional quantum electrodynamics (QED), using an analytic regularization technique, implemented in a gauge-invariant way. We show thus that a gauge boson mass is generated at this level of radiative correction to the photon propagator. We also point out in our conclusions that the generalization for the non Abelian case is straightforward.

Low temperature synthesis and electrical properties of PbTiO3 thin films prepared by the polymeric precursor method

Ferroelectric PbTiO3 thin films were successfully prepared on a Pt(111)Ti/SiO2/Si(100) substrate for the first time by spin coating, using the polymeric precursor method. X-ray diffraction patterns of the films indicate that they are polycrystalline in nature. This method allows low temperature (500 degrees C) synthesis and high electrical properties. The multilayer PbTiO3 thin films were granular in structure with a grain size of approximately 110-120 nm. A 380-nm-thick film was obtained by carrying out four cycles of the spin-coating/heating process. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) analyses showed the surface of these thin films to be smooth, dense and crack-free with low surface roughness (=3.4 nm). At room temperature and at a frequency of 100 kHz, the dielectric constant and the dissipation factor were, respectively, 570 and 0.016. The C-V characteristics of perovskite thin film prepared at low temperature show normal ferrolectric behavior. The remanent polarization and coercive field for the films deposited were 13.62 mu C/cm(2) and 121.43 kV/cm, respectively. The high electrical property values are attributed to the excellent microstrutural quality and chemical homogeneity of thin films obtained by the polymeric precursor method. (C) 2000 Elsevier B.V. S.A. All rights reserved.

Designing Gaussian basis sets to the theoretical study of the piezoelectric effect of perovskite (BaTiO3)

Gaussian basis sets (24s14p, 30s19p14d, and 33s21p14d for O (P-3), Ti (S-5), and Ba (S-1) atoms, respectively), are designed with the strategy of the Generator Coordinate Hartree-Fock method. The basis sets are then contracted to [6s4p], [10s5p4d], and [16s9p5d] to O, Ti, and Ba atoms, respectively, and used in calculations of total and orbital energies of (TiO+2)-Ti-1 and (BaO)-Ba-1 fragments for quality evaluation in molecular studies. For O atom, the [6s4p] basis set is enriched with d polarization function and used along with the [10s5p4d] and [16s9p5d] basis sets for the theoretical study of the piezoelectric effect of perovskite (BaTiO3). The results of this work evidence that the piezoelectric properties in BaTiO3 can be caused by electrostatic interactions. (C) 2003 Elsevier B.V. All rights reserved.