Quantum mechanical modeling of excited electronic states and their relationship to cathodoluminescence of BaZrO3

First-principles calculations set the comprehension over performance of novel cathodoluminescence (CL) properties of BaZrO3 prepared through microwave-assisted hydrothermal. Ground (singlet, s*) and excited (singlet s** and triplet t**) electronic states were built from zirconium displacement of 0.2 Å in {001} direction. Each ground and excited states were characterized by the correlation of their corresponding geometry with electronic structures and Raman vibrational frequencies which were also identified experimentally. A kind of optical polarization switching was identified by the redistribution of 4dz2 and 4dxz (Zr) orbitals and 2pz O orbital. As a consequence, asymmetric bending and stretching modes theoretically obtained reveal a direct dependence with their polyhedral intracluster and/or extracluster ZrO6 distortions with electronic structure. Then, CL of the as-synthesized BaZrO3 can be interpreted as a result of stable triplet excited states, which are able to trap electrons, delaying the emission process due to spin multiplicity changes. © 2013 AIP Publishing LLC.

Nonlinear optical properties of Bi2O3-GeO2 glass at 800 and 532 nm

The nonlinear (NL) optical properties of glassy xBi2O 3-(1-x) GeO2 with x = 0.72 and 0.82 were investigated. The experiments were performed with lasers at 800 nm (pulses of 150 fs) and 532 nm (pulses of 80 ps and 250 ns). Using the Kerr gate technique, we observed that the NL response of the samples at 800 nm is faster than 150 fs. NL refraction indices, | n 2 | ≈ 5 × 10-16 cm2/W, and two-photon absorption coefficients, α 2, smaller than 0.03 cm/GW, were measured at 800 nm. At 532 nm, we measured the NL transmittance of the samples. From the results obtained, we determined α 2 ≈1 cm/GW and excited-state absorption cross-sections of ≈10-22 cm2 due to free-carriers. © 2013 AIP Publishing LLC.

Cell adhesion and growth on surfaces modified by plasma and ion implantation

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

Structural refinement, optical and ferroelectric properties of microcrystalline Ba(Zr0.05Ti0.95)O-3 perovskite

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO2 nanoparticles

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Near-infrared nonlinearity of a multicomponent tellurium oxide glass at 800 and 1,064 nm

We report on the nonlinear (NL) optical properties of glassy TeO2-GeO2-K2O-Bi2O3 at lambda = 800 nm and lambda = 1,064 nm. Using the Kerr gate technique with a laser delivering 150 fs pulses at 800 nm, we demonstrated the fast NL response of the samples. The modulus of the NL refractive index, n (2), at 800 nm was similar to 10(-15) cm(2)/W. The Z-scan technique was used to determine n (2) a parts per thousand +10(-15) cm(2)/W, at 1,064 nm with pulses of 17 ps. The two-photon absorption coefficient, alpha (2), was smaller than the minimum that we can measure (< 0.003 cm/GW). The figure of merit n (2)/alpha (2) lambda was calculated and indicates that this glass composition has large potential to be used for all-optical switching.

Effects of substrate temperature, substrate orientation, and energetic atomic collisions on the structure of GaN films grown by reactive sputtering

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

Electrically detected magnetic resonance modeling and fitting: An equivalent circuit approach

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

First principles investigations on the electronic structure of anchor groups on ZnO nanowires and surfaces

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Fano interference and a slight fluctuation of the Majorana hallmark

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A Numerical Study of the FENE-CR Model Applied to a Jet Flow Problem

The FENE-CR model is investigated through a numerical algorithm to simulate the time-dependent moving free surface flow produced by a jet impinging on a flat surface. The objective is to demonstrate that by increasing the extensibility parameter L, the numerical solutions converge to the solutions obtained with the Oldroyd-B model. The governing equations are solved by an established free surface flow solver based on the finite difference and marker-and-cell methods. Numerical predictions of the extensional viscosity obtained with several values of the parameter L are presented. The results show that if the extensibility parameter L is sufficiently large then the extensional viscosities obtained with the FENE-CR model approximate the corresponding Oldroyd-B viscosity. Moreover, the flow from a jet impinging on a flat surface is simulated with various values of the extensibility parameter L and the fluid flow visualizations display convergence to the Oldroyd-B jet flow results.

Disorder induced interface states and their influence on the AI/Ge nanowires Schottky devices

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

Non-destructive thermal wave method applied to study thermal properties of fast setting time endodontic cement

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Writing saturated holograms in LiNbO3 crystals through phase control and double diffraction

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

Photoelastic stress analysis of splinted and unitary implant-supported prostheses

The aim of this study was to evaluate the effects that splinting and different lengths of implants have on the stress distribution in implant-supported prostheses by photoelastic analysis. A total of five photoelastic resin models were made with different proposed situations, and 400 load applications were performed for the analysis. Compared with the unitary prosthesis, the splinted implant-supported prosthesis acted favorably in the distribution of stresses and strains to the implant (p < 0.001). The increase in length was a significant factor in the stress distribution (p < 0.05) and, ultimately, the overall reduction in stress. It was concluded that the splinted implant-supported prosthesis behaved better biomechanically compared with the unitary prosthesis.