The role of Bi2O3 on the thermal, structural, and optical properties of tungsten-phosphate glasses

Glasses in the ternary system (70 - x)NaPO3-30WO 3-xBi2O3, with x = 0-30 mol %, were prepared by the conventional melt-quenching technique. X-ray diffraction (XRD) measurements were performed to confirm the noncrystalline nature of the samples. The influence of the Bi2O3 on the thermal, structural, and optical properties was investigated. Differential scanning calorimetry analysis showed that the glass transition temperature, Tg, increases from 405 to 440 C for 0 ≤ x ≤ 15 mol % and decreases to 417 C for x = 30 mol %. The thermal stability against devitrification decreases from 156 to 67 C with the increase of the Bi2O3 content. The structural modifications were studied by Raman scattering, showing a bismuth insertion into the phosphate chains by Bi-O-P linkage. Furthermore, up to 15 mol % of Bi 2O3 formation of BiO6 clusters is observed, associated with Bi-O-Bi linkage, resulting in a progressive break of the linear phosphate chains that leads to orthophosphate Q0 units. The linear refractive index, n0, was measured using the prism-coupler technique at 532, 633, and 1550 nm, whereas the nonlinear (NL) refractive index, n 2 was measured at 1064 nm using the Z-scan technique. Values of 1.58 ≤ n0 ≤ 1.88, n2 ≥ 10-15 cm 2/W and NL absorption coefficient, α2 ≤ 0.01 cm/GW, were determined. The linear and NL refractive indices increase with the increase of the Bi2O3 concentration. The large values of n0 and n2, as well as the very small α2, indicate that these materials have large potential for all-optical switching applications in the near-infrared. © 2012 American Chemical Society.

Sending classical information through relativistic quantum channels

We investigate how special relativity influences the transmission of classical information through quantum channels by evaluating the Holevo bound when the sender and the receiver are in (relativistic) relative motion. By using the spin degrees of freedom of spin-1/2 fermions to encode the classical information, we show that, for some configurations, the accessible information in the receiver can be increased when the spin detector moves fast enough. This is possible by allowing the momentum wave packet of one of the particles to be sufficiently wide while the momentum wave packets of other particles are kept relatively narrow. In this way, one can take advantage of the fact that boosts entangle the spin and momentum degrees of freedom of spin-1/2 fermions to increase the accessible information in the former. We close the paper with a discussion of how this relativistic quantum channel cannot in general be described by completely positive quantum maps. © 2013 American Physical Society.

A combined theoretical and experimental study of electronic structure and optical properties of β-ZnMoO4 microcrystals

In this paper, a combined theoretical and experimental study on the electronic structure and photoluminescence (PL) properties of beta zinc molybdate (β-ZnMoO4) microcrystals synthesized by the hydrothermal method has been employed. These crystals were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, Fourier transform Raman (FT-Raman) and Fourier transform infrared (FT-IR) spectroscopies. Their optical properties were investigated by ultraviolet-visible (UV-Vis) absorption spectroscopy and PL measurements. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level have been carried out. XRD patterns, Rietveld refinement, FT-Raman and FT-IR spectra showed that these crystals have a wolframite-type monoclinic structure. The Raman and IR frequencies experimental results are in reasonable agreement with theoretically calculated results. UV-Vis absorption measurements shows an optical band gap value of 3.17 eV, while the calculated band structure has a value of 3.22 eV. The density of states indicate that the main orbitals involved in the electronic structure of β-ZnMoO4 crystals are (O 2p-valence band and Mo 4d-conduction band). Finally, PL properties of β-ZnMoO4 crystals are explained by means of distortions effects in octahedral [ZnO6] and [MoO6] clusters and inhomogeneous electronic distribution into the lattice with the electron density map. © 2013 Elsevier Ltd. All rights reserved.

Local electronic structure, optical bandgap and photoluminescence (PL) properties of Ba(Zr0.75Ti0.25)O3 powders

Ba(Zr0.75Ti0.25)O3 (BZT-75/25) powders were synthesized by the polymeric precursor method. Samples were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) techniques. Their electronic structures were evaluated by first-principle quantum mechanical calculations based on density functional theory at the B3LYP level. Their optical properties were investigated by ultraviolet-visible (UV-Vis) spectroscopy and photoluminescence (PL) measurements at room temperature. XRD patterns and Rietveld refinement data indicate that the samples have a cubic structure. XANES spectra confirm the presence of pyramidal [TiO5] clusters and octahedral [TiO6] clusters in the disordered BZT-75/25 powders. EXAFS spectra indicate distortion of Ti-O and Ti-O-Ti bonds the first and second coordination shells, respectively. UV-Vis absorption spectra confirm the presence of different optical bandgap values and the band structure indicates an indirect bandgap for this material. The density of states demonstrates that intermediate energy levels occur between the valence band (VB) and the conduction band (CB). These electronic levels are due to the predominance of 4d orbitals of Zr atoms in relation to 3d orbitals of Ti atoms in the CB, while the VB is dominated by 2p orbitals related to O atoms. There was good correlation between the experimental and theoretical optical bandgap values. When excited at 482 nm at room temperature, BZT-75/25 powder treated at 500 C for 2 h exhibited broad and intense PL emission with a maximum at 578 nm in the yellow region. © 2013 Elsevier Ltd. All rights reserved.

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.

Study of the glass transition temperature of as-s glasses for the fabrication of chalcogenide optical fibers

Values of glass transition temperature (Tg) and of linear expansion coefficient (α) for Asx S100-x glasses were measured in the range of concentrations 35 × 42. Because of the importance of the glass formation region 35 × 42 for the optical fibers elaboration, special attention was made on high-pure Asx S100-x glasses. For the glass in the range of 35 × 38, we measure Tg with the interval of x equal to 1 at.% of arsenic. We also measured the Tg values with the interval of x equal to 0.5 at.% of As. We obtained nonlinear behavior of Tg, reflecting the change in molecular composition of As-S glass in the glass composition range studied. The control of such parameters is important to produce optical fibers with specific numerical aperture. © 2013 The American Ceramic Society and Wiley Periodicals, Inc.

Sudden change of quantum discord for a system of two qubits

It is known that quantum discord might experience a sudden transition in its dynamics when calculated for certain Bell-diagonal states (BDS) that are in interaction with their surroundings. We examine this phenomenon, known as the sudden change of quantum discord, considering the case of two qubits independently interacting with dephasing reservoirs. We first demonstrate that, for a class of initial states which can be chosen arbitrarily close to BDS, the transition is in fact not sudden, although it might numerically appear so if not studied carefully. Then, we provide an extension of this discussion covering the X-shaped density matrices. Our findings suggest that the transition of quantum discord might be sudden only for an highly idealized zero-measure subset of states within the set of all possible initial conditions of two qubits. © 2013 American Physical Society.

Luminescence quantum efficiency at 1.5 μm of Er3+-doped tellurite glass determined by thermal lens spectroscopy

Erbium doped tellurite glasses (TeO2 + Li2O + TiO2) were prepared by conventional melt-quenching method to study the influence of the Er3+ concentration on the luminescence quantum efficiency (η) at 1.5 μm. Absorption and luminescence data were used to characterize the samples, and the η parameter was measured using the well-known thermal lens spectroscopy. For low Er3+ concentration, the measured values are around 76%, and the concentration behavior of η shows Er-Er and Er-OH- interactions, which agreed with the measured lifetime values. © 2013 Elsevier B.V. All rights reserved.

Estudo das propriedades ópticas, linear e não linear, e elétrica dos vidros da família Li2O-TeO2-WO3

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The Linear Potential Propagator via Wave Function Expansion

ABSTRACT: We evaluate the quantum propagator for the motion of a particle in a linear potential via a recently developped formalism [A.B. Nassar et al., Phys. Rev. E56, 1230, (1997)]. In this formalism, the propagator comes about as a type of expansion of the wave function over the space of the initial velocities.

Wavelength assignment using a hybrid evolutionary computation to reduce cross-phase modulation

In this paper, we propose a hybrid methodology based on Graph-Coloring and Genetic Algorithm (GA) to solve the Wavelength Assignment (WA) problem in optical networks, impaired by physical layer effects. Our proposal was developed for a static scenario where the physical topology and traffic matrix are known a priori. First, we used fixed shortest-path routing to attend demand requests over the physical topology and the graph-coloring algorithm to minimize the number of necessary wavelengths. Then, we applied the genetic algorithm to solve WA. The GA finds the wavelength activation order on the wavelengths grid with the aim of reducing the Cross-Phase Modulation (XPM) effect; the variance due to the XPM was used as a function of fitness to evaluate the feasibility of the selected WA solution. Its performance is compared with the First-Fit algorithm in two different scenarios, and has shown a reduction in blocking probability up to 37.14% when considered both XPM and residual dispersion effects and up to 71.42% when only considered XPM effect. Moreover, it was possible to reduce by 57.14% the number of wavelengths.

Structural, electronic and optical properties of Fe(III) complex with pyridine-2,6-dicarboxylic acid: A combined experimental and theoretical study

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

Role of the reactive atmosphere during the sol-gel synthesis on the enhancing of the emission quantum yield of urea cross-linked tripodal siloxane-based hybrids

Transparent monoliths and films of urea cross-linked tripodal siloxane-based hybrids (named tri-ureasils) were prepared by the sol-gel process, under controlled atmosphere (inside a glove box) and ambient conditions and their structure and optical features were compared. X-ray diffraction data point out that all the materials are essentially amorphous and Si-29 NMR reveal an increase in the condensation degree (0.97) for the hybrids prepared under controlled atmosphere relatively to that found for those prepared under ambient conditions (0.84-0.91). The tri-ureasils are white light emitters under UV/Visible excitation (from 250 to 453 nm) being observed for the composites prepared inside the glove box a significant enhancement (60-80 %) of the absorption coefficient and higher emission quantum yield values (similar to 0.27 and similar to 0.20 for monoliths and films, respectively) relatively to those synthesized under ambient condition.

Quantization of unstable linear scalar fields in static spacetimes

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

Quantum versus classical instability of scalar fields in curved backgrounds

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