The optical absorption edge of nanocrystalline Ga(1-x)Mn(x)N films deposited by reactive sputtering

We have focused on the optical absorption edge of nanocrystalline Ga(1-x)Mn(x)N (0.00 <= x <= 0.18) films deposited by reactive RF magnetron sputtering. The films obtained are nanocrystalline with grain sizes of about 25 nm, having wurtzite structure and strong orientation texture in the c-axis direction. The optical characterizations of the absorption edges were obtained in the 190-2600 nm spectral range. The increase of the Mn content causes an increase of the absorption coefficient which can be clearly noticed at low energies, and a quasi-linear decrease of the optical gap. Broad absorption bands observed around similar to 1.3 and similar to 2.2 eV were associated with transitions between the Mn acceptor level and the valence and conduction bands, respectively. The observed changes in the optical properties due to the Mn incorporation observed in these nanocrystalline films are similar to those reported for ferromagnetic GaMnN single-crystal films.

Luminescent properties and lattice defects correlation on zinc oxide

The ZnO luminescent properties are strongly influenced by the preparation method and they are principally related to electronic and crystalline structures. This work reports about the correlation among luminescence properties of ZnO, obtained from zinc hydroxycarbonate, and crystalline lattice defects, microstrain, as function of thermal treatment. The crystallite size increase and the qualitative microstrain, obtained by Williamson-Hall plots, decrease as function of temperature. The evolution of electronic defects is analyzed by luminescence spectroscopy based on energy of the electronic transitions. From excitation spectrum, it is verified two bands around 377 nm and 405 nm attributed to the transitions between valence-conduction bands and valence band to interstitial zinc level, respectively. The emission spectra of sample treated at 600 degreesC shows large band at 670 nm. However, the green emission around 530 nm is observed for samples treated at 900 degreesC. The intensities of excitation and emission bands are associated with the increase of the electronic defects that depend on the strain lattice decrease. The lowest strain lattice results on the best green luminescent properties of zinc oxide. (C) 2001 Elsevier B.V. Ltd. All rights reserved.

Luminescence effect in amorphous PLT

Amorphous and crystalline powder of PLT phase was synthesized by using the Pechini method. Infrared (FTIR) analysis of the polymeric resin shows intense bands of organic materials from 250 to 1620 cm(-1). X-ray diffraction (XRD) and Raman spectra of calcined powder at different temperatures show amorphous phase at 450 degrees C/3 h, semi-crystalline phase at 550 degrees C/3 h and a crystalline phase at 800 degrees C/3 h. Luminescence effect was observed in amorphous powder calcined from 300 to 350 degrees/3 h with broad absorption peaks in 579 nm at 300 degrees C/3 h and 603 rum at 350 degrees C/3 h, respectively. The photoluminescence effect is attributed to emissions of Ti -> 0 directly from the oxygen 2p orbital (valence band) to the titanate 3d orbital (conduction bands). (c) 2004 Elsevier Ltd. All rights reserved.

Structural and electronic properties of PbTiO3 slabs: a DFT periodic study

Structural and electronic properties of the bulk and relaxed surfaces (TiO2 and PbO terminated) of cubic PbTiO3 are investigated by means of periodic quantum-mechanical calculations based on density functional theory. It is observed that the difference in surface energies is small and relaxations effects are most prominent for Ti and Ph surface atoms. The electronic structure shows a splitting of the lowest conduction bands for the TiO2 terminated surface and of the highest valence bands for the PbO terminated slab. The calculated indirect band gap is: 3.18, 2.99 and 3.03 eV for bulk, TiO2 and PbO terminations, respectively. The electron density maps show that the Ti-O bond has a partial covalent character, whereas the Pb-O bonds present a very low covalency. (C) 2004 Elsevier B.V. All rights reserved.

Density functional theory study on the structural and electronic properties of low index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems

The present study is concerned with the structural and electronic properties of the TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems. Periodic quantum mechanical method with density functional theory at the B3LYP level has been carried out. Relaxed surface energies, structural characteristics and electronic properties of the (I 10), (0 10), (10 1) and (00) low-index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 models are studied. For, comparison purposes, the bare rutile TiO2 and SnO2 structures are also analyzed and compared with previous theoretical and experimental data. The calculated surface energy for both rutile TiO2 and SnO2 surfaces follows the sequence (110) < (010) < (101) < (001) and the energy increases as (010) < (101) < (110) < (001) and (010) approximate to (110) < (101) < (001) for SnO2/TiO2/SnO2 and TiO2/SnO2/TiO2 composite systems, respectively. SnO2/TiO2/SnO2 presents larger values of surface energy than the individual SnO2 and TiO2 metal oxides and the TiO2/SnO2/TiO2 system renders surface energy values of the same order that the TiO2 and lower than the SnO2. An analysis of the electronic structure of the TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 systems shows that the main characteristics of the upper part of the valence bands for all the studied surfaces are dominated by the external layers, i.e., by the TiO2 and the SnO2, respectively, and the topology of the lower part of the conduction bands looks like the core layers. There is an energy stabilization of both valence band top and conduction band bottom for (110) and (010) surfaces of the SnO2/TiO2/SnO2 composite system in relation to their core TiO2, whereas an opposite trend is found for the same surfaces of the TiO2/SnO2/TiO2 composite system in relation to the bare SnO2. The present theoretical results may explain the growth of TiO2@SnO2 bimorph composite nanotape.

Hydrostatic and [001] uniaxial pressure on anatase TiO2 by periodic B3LYP-D* calculations

The effect of high hydrostatic and [001] uniaxial pressures on TiO 2 anatase was studied under the framework of periodic calculations with the inclusion of DFT-D2 dispersion potential adjusted for this system (B3LYP-D*). The role of dispersion in distorted unit cells was evaluated in terms of lattice parameters, elastic constants, equation of state, vibrational properties, and electronic properties (band structure and density of states). A more reliable description at high pressures was achieved because the B3LYP-D* presented an improvement in all properties for undistorted bulk over conventional B3LYP and B3LYP-D. From density of states analysis, we observed that the contribution of crystalline orbitals to the edge of valence and conduction bands changed within applied pressure. The studied distortions can give some insight into behavior of electronic and structural properties due to local stress in anatase bulk from doping, defects, and physical tensions in nanometric forms. © 2013 American Chemical Society.

Propriedades estruturais, ópticas e magnéticas de filmes de GaMnN

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

Estudo da modificação da fotoluminescência em α-Bi2O3 após tratamento térmico assistido por pressão

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Wannier functions of isolated bands in one-dimensional crystals

We present a simple procedure to obtain the maximally localized Wannier function of isolated bands in one-dimensional crystals with or without inversion symmetry. First, we discuss the generality of dealing with real Wannier functions. Next, we use a transfer-matrix technique to obtain nonoptimal Bloch functions which are analytic in the wave number. This produces two classes of real Wannier functions. Then, the minimization of the variance of the Wannier functions is performed, by using the antiderivative of the Berry connection. In the case of centrosymmetric crystals, this procedure leads to the Wannier-Kohn functions. The asymptotic behavior of the Wannier functions is also analyzed. The maximally localized Wannier functions show the expected exponential and power-law decays. Instead, nonoptimal Wannier functions may show reduced exponential and anisotropic power-law decays. The theory is illustrated with numerical calculations of Wannier functions for conduction electrons in semiconductor superlattices.

Cytogenetic analysis of the neotropical spider Nephilengys cruentata (Araneomorphae, tetragnathidae): standard staining, NORs, C-bands and base-specific fluorochromes

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Influence of degradation on the electrical conduction process in ZnO and SnO2-based varistors

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

Single-phase high power-factor boost ZCS pre-regulator operating in critical conduction mode

This paper presents a new single-phase interleaved high power factor boost pre-regulator operating in critical conduction mode, where the switches and boost diode performing zero-current commutations during its turn-off, eliminating the disadvantages related to the reverse recovery losses and electromagnetic interference problems of the boost diode, when operating in the continuous conduction mode. The interleaving technique is applied in the power cell, providing a significant input current ripple reduction in comparison to discontinuous mode of operation, due to its input current continuous conduction operation. This paper presents a complete modeling for the converter operating in critical conduction mode, resulting in an improved design procedure for interleaved techniques with high input power factor, a complete design procedure, and main simulation results from a design example with two interleaved cells rated at 1kW, 400V output voltage and 220V rms input voltage.

New Terahertz Laser Lines From (13)CD(3)OH Pumped by Regular and Hot Bands CO(2) Laser

We have used our new pulsed CO(2) laser, operating both on regular and hot bands, to excite the (13)CD(3)OH methanol isotopomer. This has lead to the observation of 13 new high-threshold far-infrared laser emissions (also identified as terahertz laser lines), with frequencies in the range between 24.11 and 102.56 cm(-1) (0.72-3.07 THz). The absorption transitions leading to these new FIR laser emissions have been located by observing the optoacoustic absorption spectra around the CO(2) emissions. Here, we present these new far-infrared laser lines, characterized in wavelength, polarization, offset relative to the center of the pumping CO(2) laser transition, relative intensity, and optimum operation pressure.

MOTOR NERVE CONDUCTION and REPETITIVE NERVE STIMULATION IN CAPTIVE RING-TAILED COATI (NASUA NASUA)

There are few electrophysiologic studies in wild animals. The aim of this study was to determine normal data for motor nerve conduction studies and repetitive stimulation in sciatic-tibial and ulnar nerves in clinically normal captive coati. Eight adult ring-tailed coatis (Nasua nasua), two females and six males weighing 68 kg, were used. Average nerve conduction velocity was 70.81 m/sec (standard deviation [SD] = 3.98) and 56.93 m/sec (SD = 4.31) for the sciatic-tibial and ulnar nerves, respectively. Repetitive stimulation responses demonstrated minimal variations of the area of the compound muscle action potentials at low (3 Hz) and high (20 Hz) frequencies. The maximal obtained decremental area response was 8%. These normal data of conduction studies may be used in assessing abnormalities for clinical diagnosis. In addition, the obtained normal repetitive stimulation data were similar to dogs and humans and may be used for post- and presynaptic disturbances of the neuromuscular transmission in coatis.

ac conductivity and conduction mechanism of NaNbO3 semiconductor antiferroelectric ceramic: A relaxational approach at high temperature

The electric properties of the sodium niobate perovskite ceramic were investigated by impedance spectroscopy in the frequency range from 5 Hz to 13 MHz and from room temperature up to 1073 K, in a thermal cycle. Both capacitance and conductivity exhibit an anomaly at around 600 K as a function of the temperature and frequency. The electric conductivity as a function of angular frequency sigma(omega) follows the relation sigma(omega)=Aomega(s). The values of the exponent s lie in the range 0.15less than or equal tosless than or equal to0.44. These results were discussed considering the conduction mechanism as being a type of polaron hopping. (C) 2003 American Institute of Physics.