Luminescence in semi-crystalline zirconium titanate doped with lanthanum

This paper aims to describe the synthesis of the semi-crystalline and crystalline powder of lanthanum doped with zirconium titanate (65/35), LZT through Pechini method. The analysis done by Raman demonstrated that semi-crystalline phase at 550 degrees C and crystalline phase after 600 degrees C were formed. The XRD pattern shows the ZrTiO4 phase formation demonstrating that La substitutions into the lattice take place. The calcined powder at different temperatures shows a semi-crystalline phase presenting photoluminescence effect when processed at low temperatures. From 300 to 400 degrees C a broadband is observed at 563 nm and 568 nm, respectively. Defects creation such as: Zr3+ center dot Vo(center dot center dot) and Ti3+ - V-O(center dot center dot), Zr and Ti replaced by La with vacancy formation, impurities and imperfections contributed to the photoluminescence effect. However, the main emission is due to a reverse Ti4+ -> O2- or/and Zr4+ -> O2- transition that occur within a regular titanate or zirconate eight-fold coordination [BO8-delta], B = Zr4+, Ti4+. (c) 2006 Elsevier B.V. All rights reserved.

Photoluminescence of crystalline and disordered BTO : Mn powder: Experimental and theoretical modeling

Disordered and crystalline Mn-doped BaTiO3 (BTO:Mn) powders were synthesized by the polymeric precursor method. After heat treatment, the nature of visible photoluminescence (PL) at room temperature in amorphous BTO:Mn was discussed, considering results of experimental and theoretical studies. X-ray diffraction (XRD), PL, and UV-vis were used to characterize this material. Rietveld refinement of the BTO:Mn from XRD data was used to built two models, which represent the crystalline BTO:Mn (BTO:Mn,) and disordered BTO:Mn (BTO:Mn-d) structures. Theses models were analyzed by the periodic ab initio quantum mechanical calculations using the CRYSTAL98 package within the framework of density functional theory at the B3LYP level. The experimental and theoretical results indicated that PL is related with the degree of disorder in the BTO:Mn powders and also suggests the presence of localized states in the disordered structure. (c) 2006 Elsevier B.V. All rights reserved.

Gelation of siloxane-poly(oxypropylene) composites

The viscoelastic properties of siloxane-poly(oxypropylene) (PPO) nanocomposites prepared by the sol-gel process has been analyzed during gelation by dynamic rheological measurements. The changes of storage and loss moduli, complex viscosity and phase angle has been measured as a function of time showing the newtonian viscosity of the sol in the initial step of gelation, and its progressive transformation to a viscoelastic gel. The rheologic properties have been correlated to mass fractal, nearly linear growth models and percolation theory. This study, completed by quasi-elastic light scattering and Si-29 solid state nuclear magnetic resonance measurements, shows that the mechanisms of gelation of siloxane-PPO hybrids depend on the molecular weight of the polymer and on the pH of the hybrid sol. For hybrids prepared in acid medium, a polymerization involving silicon reactive species located at the extremity of the polymer chains and presenting a functionality f = 2 occurs, forming a fractal structure during the first stage of sol-gel transition. For samples prepared under neutral pH, the fractal growth is only observed for hybrids containing short polymer chains (M-w similar to 130 gmol(-1)). The fractal dimensionality determined from the change in the rheological properties, indicates that the fractal growth mechanism changes from reaction-limited to diffusion-limited aggregation when the molecular weight of the PPO increases from 130 to 4000 gmol(-1) and as catalyst conditions change from acidic to neutral. Near the gel point, these hybrid gels have the typical scaling behavior expected from percolation theory. (C) 2002 Elsevier B.V. B.V. All rights reserved.

CRYSTALLINE FRAGMENTS IN GLASSES

The nature of tetrahedral molecular fragments is investigated in SiSe2 glasses using the molecular-dynamics method. The glass consists of both edge-sharing (ES) and corner-sharing tetrahedra. The ES tetrahedra are the building blocks of chain-like-molecular fragments. The two-edge-sharing tetrahedra are the nucleus, and corner-sharing configurations provide connecting hinges between fragments. Statistics of rings and fragments reveals that threefold and eightfold rings are most abundant, chainlike fragments that are typically 10-15 angstrom long occur mostly in eightfold rings, and the longest fragments occur in elevenfold rings.

Low-temperature, self-nucleated growth of indium-tin oxide nanostructures by pulsed laser deposition on amorphous substrates

Indium-tin oxide nanostructures were deposited by excimer laser ablation in a nitrogen atmosphere using catalyst-free oxidized silicon substrates at 500 degrees C. Up to 1 mbar, nanowires grew by the vapor-liquid-solid (VLS) mechanism, with the amount of liquid material decreasing as the deposition pressure increased. The nanowires present the single-crystalline cubic bixbyite structure, oriented < 100 >. For the highest pressure used, pyramids were formed and no sign of liquid material could be observed, indicating that these structures grew by a vapor-solid mechanism. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Preparation, microstructural and electrical characterization of SrTiO3 thin films prepared by chemical route

Polycrystalline SrTiO3 thin films having a cubic perovskite structure were prepared at different temperatures by the polymeric precursor method on platinum-coated silicon substrate. Crystalline films with uniform composition and thickness were prepared by spin-coating and the post-deposition heat treatment was carried out at different temperatures. The film showed good structural, dielectric, and insulating properties, Scanning electron microscopy (SEM) micrographs showed no occurrence of interdiffusion between the bottom electrode (platinum) and the film during post-annealing, indicating a stable interface between the SrTiO3 and the bottom electrode. The dielectric constant and dissipation factor at a frequency of 100 kHz were 250 and 0.01, respectively, for a 360 nm thick film annealed at 600 degreesC. The capacitance versus applied voltage characteristics showed that the capacitance was almost independent of the applied voltage. The I-V characteristics were ohmic in low fields and a Schottky emission and/or Poole-Frenkel emission were postulated in high fields. Room temperature leakage current density was found to be in the order of 10(-7) A/cm(2) for a 360 nm thick film in an applied electric field of about 100 kV/cm. The charge storage density of 36 fC/mum(2) was obtained in an applied electric field of about 100 kV/cm. (C) 2001 Published by Elsevier B.V. Ltd. All rights reserved.

Well productivity controlling factors in crystalline terrains of southeastern Brazil

Over the last decades, increasing water demands have fostered research to obtain high well yields in crystalline terrains where, besides the intrinsic properties of rocks, the groundwater flow depends on several factors. The depth of the wells, the lithotypes, the presence and thickness of sedimentary coverings and weathered layers, the landforms, the geological structures, and the effects of tectonic stresses are among the most investigated factors considered as determinant of well productivity. The influence of these factors on productivity of wells that exploit the Crystalline Aquifer System in the Jundiai-River Catchment, southeastern Brazil, is investigated in this work. The largest region of the studied area is located on the Precambrian Basement, partially covered by sedimentary deposits. The results show that the sedimentary deposits and the weathered layer are important for high well yield, but it also depends on the existence of a net of open fractures, in order to maintain high productivity. The sites that have more possibility of occurrence of such structures are the regional shear and fault zones and other minor structures with NW-SE and E-W directions, which characterize areas subjected to transtensional stress related to the neotectonics.

Ferroelectric materials with photoluminescent properties

Amorphous LiNbO3 thin films processed by polymeric precursor method exhibited efficient luminescence at room temperature. The films were deposited on silicon substrates and treated at 200degreesC for different times. The photoluminescence emission yield decreases with the increase of the treatment time and disappears for crystalline films. A theoretical-experimental study was performed on amorphous and crystalline materials to understand the influence of the defects on the photoluminescence properties. The theoretical band gap obtained by the difference of energy between the HOMO and LUMO levels is larger for crystalline structure when compared with amorphous material. This result, which is in agreement with experimental band gaps obtained from optical measurements, revealed the emergence of new electronic levels for the amorphous material, which are localized in the wide band gap of the crystalline structure. These new electronic levels may explain the photoluminescence observed at room temperature for LiNbO3 amorphous films.

Energy States of Phosphorous Donor in Silicon in Fields up to 18 T

The evolution of the energy states of the phosphorous donor in silicon with magnetic field has been the subject of previous experimental and theoretical studies to fields of 10 T. We now present experimental optical absorption data to 18 T in combination with theoretical data to the same field. We observe features that are not revealed in the earlier work, including additional interactions and anti-crossings between the different final states. For example, according to the theory, for the "1s -> 2p (+)" transition, there are anti-crossings at about 5, 10, 14, 16, and 18 T. In the experiments, we resolve at least the 5, 10, and 14 T anti-crossings, and our data at 16 and 18 T are consistent with the calculations.

Effect of processing conditions on the nucleation and growth of indium-tin-oxide nanowires made by pulsed laser ablation

Indium-tin oxide nanowires were deposited by excimer laser ablation onto catalyst-free oxidized silicon substrates at a low temperature of 500 degrees C in a nitrogen atmosphere. The nanowires have branches with spheres at the tips, indicating a vapor-liquid-solid (VLS) growth. The deposition time and pressure have a strong influence on the areal density and length of the nanowires. At the earlier stages of growth, lower pressures promote a larger number of nucleation centers. With the increase in deposition time, both the number and length of the wires increase up to an areal density of about 70 wires/mu m(2). After this point all the material arriving at the substrate is used for lengthening the existing wires and their branches. The nanowires present the single-crystalline cubic bixbyite structure of indium oxide, oriented in the [100] direction. These structures have potential applications in electrical and optical nanoscale devices.

Study of plasma immersion ion implantation into silicon substrate using magnetic mirror geometry

The effect of magnetic field enhanced plasma immersion ion implantation (PIII) in silicon substrate has been investigated at low and high pulsed bias voltages. The magnetic field in magnetic bottle configuration was generated by two magnetic coils installed outside the vacuum chamber. The presence of both, electric and magnetic field in PIII creates a system of crossed E x B fields, promoting plasma rotation around the target. The magnetized electrons drifting in crossed E x B fields provide electron-neutral collision. Consequently, the efficient background gas ionization augments the plasma density around the target where a magnetic confinement is achieved. As a result, the ion current density increases, promoting changes in the samples surface properties, especially in the surface roughness and wettability and also an increase of implantation dose and depth. (C) 2012 Elsevier B. V. All rights reserved.

Photocatalytic decomposition of methylene blue via Fenton mechanisms by silicon wafer doped with Au and Cu: a theoretical and experimental study

In this work, we studied the photocatalytic and the structural aspects of silicon wafers doped with Au and Cu submitted to thermal treatment. The materials were obtained by deposition of metals on Si using the sputtering method followed by fast heating method. The photocatalyst materials were characterized by synchrotron-grazing incidence X-ray fluorescence, ultraviolet-visible spectroscopy, X-ray diffraction, and assays of H(2)O(2) degradation. The doping process decreases the optical band gap of materials and the doping with Au causes structural changes. The best photocatalytic activity was found for thermally treated material doped with Au. Theoretical calculations at density functional theory level are in agreement with the experimental data.

HMDSO plasma polymerization and thin film optical properties

Thin films were deposited from hexamethyldisiloxane (HMDSO) in a glow discharge supplied with radiofrequency (rf) power. Actino-metric optical emission spectroscopy was used to follow trends in the plasma concentrations of the species SiH (414.2 nm), CH (431.4 nm), CO (520.0 nm), and H (656.3 nm) as a function of the applied rf power (range 5 to 35 W). Transmission infrared spectroscopy (IRS) was employed to characterize the molecular structure of the polymer, showing the presence of Si-H, Si-O-Si, Si-O-C and C-H groups. The deposition rate, determined by optical interferometry, ranged from 60 to 130 nm/min. Optical properties were determined from transmission ultra violet-visible spectroscopy (UVS) data. The absorption coefficient α, the refractive index n, and the optical gap E04 of the polymer films were calculated as a function of the applied power. The refractive index at a photon energy of 1 eV varied from 1.45 to 1.55, depending on the rf power used for the deposition. The absorption coefficient showed an absorption edge similar to other non-crystalline materials, amorphous hydrogenated carbon, and semiconductors. For our samples, we define as an optical gap, the photon energy E04 corresponding to the energy at an absorption of 104 cm-1. The values of E04 decreased from 5.3 to 4.6 as the rf power was increased from 5 to 35 W. © 1995.

Generalized simulated annealing: Application to silicon clusters

We have compared the recently introduced generalized simulated annealing (GSA) with conventional simulated annealing (CSA). GSA was tested as a tool to obtain the ground-state geometry of molecules. We have used selected silicon clusters (Sin, n=4-7,10) as test cases. Total energies were calculated through tight-binding molecular dynamics. We have found that the replacement of Boltzmann statistics (CSA) by Tsallis's statistics (GSA) has the potential to speed up optimizations with no loss of accuracy. Next, we applied the GSA method to study the ground-state geometry of a 20-atom silicon cluster. We found an original geometry, apparently lower in energy than those previously described in the literature.