Theoretical and experimental study of the relation between photoluminescence and structural disorder in barium and strontium titanate thin films

Thin films of barium and strontium titanate (BST), synthesized by the polymeric precursor solution and spin coated on [Pt (140nm)/Ti (10 nM)/SiO2(1000 nm)/Si] substrates were found to be photoluminescent at room temperature when heat treated below 973 K, i.e. before their crystallization. First principles quantum mechanical techniques, based on density functional theory (DFT) were employed to study the electronic structure of two periodic models: one is standing for the crystalline BST thin film and the other one for the structurally disordered thin film. The aim is to compare the photoluminescence (PL) spectra of the crystalline and disordered thin films with their UV-vis spectra and with their computed electronic structures. The calculations show that new localized states are created inside the band gap of the crystalline model, as predicted by the UV-vis spectra. The study of the charge repartition in the structure before and after deformation of the periodic model shows that a charge gradient appears among the titanate clusters. This charge gradient, together with the new localized levels, gives favorable conditions for the trapping of holes and electrons in the structure, and thus to a radiative recombination process. Our models are not only consistent with the experimental data, they also allow to explain the relations between structural disorder and photoluminescence at room temperature. (c) 2005 Elsevier Ltd. All rights reserved.

NUMERICAL STUDY OF A PERTURBED EINSTEIN-DESITTER COSMOLOGICAL MODEL

Given the ever-increasing scale of structures discovered in the universe, we solve Einstein's equations numerically, under simplifying assumptions, to examine how this lack of uniformity affects the metric of Einstein-de Sitter cosmology. The results confirm the qualitative conclusion of Barrow, that a large density contrast is compatible with much smaller metric perturbations. The contribution of this peculiar gravity to the redshift might complicate studies of peculiar motions of galaxies, although it appears that the distortion is small for nearby clusters.

APPLICATION OF WISDOMS PERTURBATIVE METHOD TO THE 5/2 AND 7/3 RESONANCES

Wisdom's perturbative method is applied to the 5:2 and 7:3 resonances. Some comparisons with Yoshikawa's model are performed: for values of eccentricity up to about 0.3-0.4, agreement exists and it is better for 5:2 resonance. A clear difference between the cases 5:2 and 7:3 is observed : the former one, like in the case 3:1, can show significant variations of eccentricity, even starting from very small values, close to zero, while the latter seems to undergo such variations, but with initial eccentricity not less than a value near 0.1.

Photoluminescence in quantum-confined SnO2 nanocrystals: Evidence of free exciton decay

Nanocrystalline SnO2 quantum dots were synthesized at room temperature by hydrolysis reaction of SnCl2. The addition of tetrabutyl ammonium hydroxide and the use of hydrothermal treatment enabled one to obtain tin dioxide colloidal suspensions with mean particle radii ranging from 1.5 to 4.3 nm. The photoluminescent properties of the suspensions were studied. The particle size distribution was estimated by transmission electron microscopy. Assuming that the maximum intensity photon energy of the photoluminescence spectra is related to the band gap energy of the system, the size dependence of the band gap energies of the quantum-confined SnO2 particles was studied. This dependence was observed to agree very well with the weak confinement regime predicted by the effective mass model. This might be an indication that photoluminescence occurs as a result of a free exciton decay process. (C) 2004 American Institute of Physics.

Exact dynamics of single-qubit-gate fidelities under the measurement-based quantum computation scheme

Measurement-based quantum computation is an efficient model to perform universal computation. Nevertheless, theoretical questions have been raised, mainly with respect to realistic noise conditions. In order to shed some light on this issue, we evaluate the exact dynamics of some single-qubit-gate fidelities using the measurement-based quantum computation scheme when the qubits which are used as a resource interact with a common dephasing environment. We report a necessary condition for the fidelity dynamics of a general pure N-qubit state, interacting with this type of error channel, to present an oscillatory behavior, and we show that for the initial canonical cluster state, the fidelity oscillates as a function of time. This state fidelity oscillatory behavior brings significant variations to the values of the computational results of a generic gate acting on that state depending on the instants we choose to apply our set of projective measurements. As we shall see, considering some specific gates that are frequently found in the literature, the fast application of the set of projective measurements does not necessarily imply high gate fidelity, and likewise the slow application thereof does not necessarily imply low gate fidelity. Our condition for the occurrence of the fidelity oscillatory behavior shows that the oscillation presented by the cluster state is due exclusively to its initial geometry. Other states that can be used as resources for measurement-based quantum computation can present the same initial geometrical condition. Therefore, it is very important for the present scheme to know when the fidelity of a particular resource state will oscillate in time and, if this is the case, what are the best times to perform the measurements.

Compatibility of a model for the QCD-Pomeron and chiral-symmetry breaking phenomenologies

The phenomenology of a QCD-Pomeron model based on the exchange of a pair of non-perturbative gluons, i.e. gluon fields with a finite correlation length in the vacuum, is studied in comparison with the phenomenology of QCD chiral symmetry breaking, based on non-perturbative solutions of Schwinger-Dyson equations for the quark propagator including these non-perturbative gluon effects. We show that these models are incompatible, and point out some possibles origins of this problem.

Non-anomalous generalized chiral Schwinger model

Recently, Basseto and Griguolo1 did a perturbative quantization of what they called a generalized chiral Schwinger model. As a consequence of the kind of quantization adopted, some gauge-dependent masses raised in the model. On the other hand, we discussed the possibility of introducing a generalized Wess-Zumino term,2 where such gauge-dependent masses did appear. Here we intend to show that one can construct a non-anomalous version of a model which include that, presented by Basseto and Griguolo as a particular case, by adding to it a generalized Wess-Zumino term, as proposed in Ref. 2. So we conclude that it is possible to construct a gauge-invariant extension of the model quoted in Ref. 1, and this can be done through a Wess-Zumino term of the type proposed in Ref. 2.

C - H ⋯ 0 and N - H ⋯ 0 hydrogen bonds in liquid amides investigated by monte carlo simulation

Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N, N-dimethytformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ⋯ O and N-H ⋯ O hydrogen bonds. The interaction energy was calculated using the classical 6-12 Lennard-Jones pairwise potential plus a Coulomb term on a rigid six-site molecular model with the potential parameters being optimized in this work. Theoretical values obtained for heat of vaporization and liquid densities are in good agreement with the experimental data. The radial distribution function [RDF, g(r)] obtained compare well with R-X diffraction data available. The RDF and molecular mechanics (MM2) minimization show that the C-H ⋯ O interaction has a significant role in the structure of the three liquids. These results are supported by ab initio calculations. This interaction is particularly important in the structure of MF. The intensity of the N - H ⋯ O hydrogen bond is greater in the MF than formamide. This could explain some anomalous properties verified in MF. © 1997 John Wiley & Sons, Inc.

Pauli nonlocality in heavy-ion rainbow scattering: A further test of the folding model

Nonlocal interactions are an intrinsically quantum phenomenon. In this work we point out that, in the context of heavy ions, such interactions can be studied through the refractive elastic scattering of these systems at intermediate energies. We show that most of the observed energy dependence of the local equivalent bare potential arises from the exchange nonlocality. The nonlocality parameter extracted from the data was found to be very close to the one obtained from folding models. The effective mass of the colliding, heavy-ion, system was found to be close to the nucleon effective mass in nuclear matter.

Model for zinc oxide varistor

Zinc oxide varistors are very complex systems, and the dominant mechanism of voltage barrier formation in these systems has not been well established. Yet the MNDO quantum mechanical theoretical calculation was used in this work to determine the most probable defect type at the surface of a ZnO cluster. The proposed model represents well the semiconducting nature as well as the defects at the ZnO bulk and surface. The model also shows that the main adsorption species that provide stability at the ZnO surface are O-, O2 -, and O2.

Model for stars of interacting bosons and fermions

In this paper we introduce a current-current type interaction term in the Lagrangian density of gravity coupled to complex scalar fields, in the presence of a degenerated Fermi gas. For low transferred momenta, such a term, which might account for the interaction among boson and fermion constituents of compact stellar objects, is subsequently reduced to a quadratic one in the scalar sector. This procedure enforces the use of a complex radial field counterpart in the equations of motion. The real and the imaginary components of the scalar field exhibit different behavior as the interaction increases. The results also suggest that the Bose-Fermi system undergoes a phase transition for a suitable choice of the coupling constant.

Carriers escape mechanisms in shallow InGaAs/GaAs quantum wells grown on vicinal (001) GaAs substrates

We used photoluminescence spectroscopy in order to investigate the carriers escape mechanisms in In0.15Ga0.85As/GaAs quantum wells grown on top of nominal (001) and 2°-, 4°-and 6°-off (001) towards (111)A GaAs substrates. We described the escape processes using two models that fit the Arrhenius plot of the integrated PL intensity as a function of the inverse of the sample temperature. In the first model, we considered equal escape probability for electrons and holes. In the second one, we assumed that a single type of carrier can escape from the well. At high temperature, the first model fits the experimental data well, whereas, between 50 K and 100 K, the second model has to be taken into account to describe the data. We observed that the escape activation energy depends on the misorientation angle. An unusual behavior was noted when the full width at half maximum of the photoluminescence main emission was plotted as a function of the sample temperature. We showed that the escape process of the less-confined carriers drives this behavior. © 1999 Academic Press.

Magneto-optical studies of the correlation between interface microroughness parameters and the photoluminescence line shape in GaAs/Ga0.7Al0.3As quantum wells

In this work we analyze the relation between the interface microroughness and the full width at half maximum (FWHM) of the photoluminescence (PL) spectra for a GaAs/Ga0.7Al0.3As multiple quantum well (QW) system. We show that, in spite of the complex correlation between the microscopic interface-defects parameters and the QW optical properties, the Singh and Bajaj model [Appl. Phys. Lett. 44, 805 (1984)] provides a good quantitative description of the excitonic PL-FWHM. ©1999 The American Physical Society.

Confinement, solitons and the equivalence between the sine-Gordon and massive Thirring models

We consider a two-dimensional integrable and conformally invariant field theory possessing two Dirac spinors and three scalar fields. The interaction couples bilinear terms in the spinors to exponentials of the scalars. Its integrability properties are based on the sl(2) affine Kac-Moody algebra, and it is a simple example of the so-called conformal affine Toda theories coupled to matter fields. We show, using bosonization techniques, that the classical equivalence between a U(1) Noether current and the topological current holds true at the quantum level, and then leads to a bag model like mechanism for the confinement of the spinor fields inside the solitons. By bosonizing the spinors we show that the theory decouples into a sine-Gordon model and free scalars. We construct the two-soliton solutions and show that their interactions lead to the same time delays as those for the sine-Gordon solitons. The model provides a good laboratory to test duality ideas in the context of the equivalence between the sine-Gordon and Thirring theories. © 2000 Elsevier Science B.V. All rights reserved.

Constraining the free parameter of the high parton density effects

The high parton density effects are strongly dependent of the spatial gluon distribution within the proton, with radius R, which cannot be derived from perturbative QCD. In this paper we assume that the unitarity corrections are present in the HERA kinematical region and constrain the value of R using the data for the proton structure function and its slope. We obtain that the gluons are not distributed uniformly in the whole proton disc, but behave as concentrated in smaller regions. (C) 2000 Elsevier Science B.V.