Structural and optical properties of CaTiO3 perovskite-based materials obtained by microwave-assisted hydrothermal synthesis: An experimental and theoretical insight

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Transporte eletrônico e propriedades termodinâmicas de nanobiomoléculas

We use a tight-binding formulation to investigate the transmissivity and the currentvoltage (I_V) characteristics of sequences of double-strand DNA molecules. In order to reveal the relevance of the underlying correlations in the nucleotides distribution, we compare theresults for the genomic DNA sequence with those of arti_cial sequences (the long-range correlated Fibonacci and RudinShapiro one) and a random sequence, which is a kind of prototype of a short-range correlated system. The random sequence is presented here with the same _rst neighbors pair correlations of the human DNA sequence. We found that the long-range character of the correlations is important to the transmissivity spectra, although the I_V curves seem to be mostly inuenced by the short-range correlations. We also analyze in this work the electronic and thermal properties along an _-helix sequence obtained from an _3 peptide which has the uni-dimensional sequence (Leu-Glu-Thr- Leu-Ala-Lys-Ala)3. An ab initio quantum chemical calculation procedure is used to obtain the highest occupied molecular orbital (HOMO) as well as their charge transfer integrals, when the _-helix sequence forms two di_erent variants with (the so-called 5Q variant) and without (the 7Q variant) _brous assemblies that can be observed by transmission electron microscopy. The di_erence between the two structures is that the 5Q (7Q) structure have Ala ! Gln substitution at the 5th (7th) position, respectively. We estimate theoretically the density of states as well as the electronic transmission spectra for the peptides using a tight-binding Hamiltonian model together with the Dyson's equation. Besides, we solve the time dependent Schrodinger equation to compute the spread of an initially localized wave-packet. We also compute the localization length in the _nite _-helix segment and the quantum especi_c heat. Keeping in mind that _brous protein can be associated with diseases, the important di_erences observed in the present vi electronic transport studies encourage us to suggest this method as a molecular diagnostic tool

(D)over-barN interaction from meson-exchange and quark-gluon dynamics

We investigate the (D) over barN interaction at low energies using a meson exchange model supplemented with a short-distance contribution from one-gluon exchange. The model is developed in close analogy to the meson-exchange KN interaction of the Julich group utilizing SU(4) symmetry constraints. The main ingredients of the interaction are provided by vector meson (rho, omega) exchange and higher-order box diagrams involving (D) over bar *N , (D) over bar Delta, and (D) over bar*Delta intermediate states. The short-range part is assumed to receive additional contributions from genuine quark-gluon processes. The predicted cross-sections for (D) over barN for excess energies up to 150MeV are of the same order of magnitude as those for KN but with average values of around 20mb, roughly a factor two larger than for the latter system. It is found that the omega-exchange plays a very important role. Its interference pattern with the rho-exchange, which is basically fixed by the assumed SU(4) symmetry, clearly determines the qualitative features of the (D) over barN interaction - very similiar to what happens also for the KN system.

Long- and medium-range components of the nuclear force in quark-model based calculations

Quark-model descriptions of the nucleon-nucleon interaction contain two main ingredients, a quark-exchange mechanism for the short-range repulsion and meson exchanges for the medium- and long-range parts of the interaction. We point out the special role played by higher partial waves, and in particular the (1)F(3), as a very sensitive probe for the meson-exchange pan employed in these interaction models. In particular, we show that the presently available models fail to provide a reasonable description of higher partial waves and indicate the reasons for this shortcoming.

Renormalization of singular potentials and power counting

We use a toy model to illustrate how to build effective theories for singular potentials. We consider a central attractive 1/r(2) potential perturbed by a 1/r(4) correction. The power-counting rule, an important ingredient of effective theory, is established by seeking the minimum set of short-range counterterms that renormalize the scattering amplitude. We show that leading-order counterterms are needed in all partial waves where the potential overcomes the centrifugal barrier, and that the additional counterterms at next-to-leading order are the ones expected on the basis of dimensional analysis. (C) 2008 Elsevier B.V. All rights reserved.

Investigations in massive 3D gravity

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Static potential in scalar QED(3) with non-minimal coupling

Here we compute the static potential in scalar QED(3) at leading order in 1/Nf. We show that the addition of a non-minimal coupling of Pauli-type (is an element of(mu nu alpha)j(mu)partial derivative(nu)A(alpha)), although it breaks parity, it does not change the analytic structure of the photon propagator and consequently the static potential remains logarithmic ( confining) at large distances. The non-minimal coupling modifies the potential, however, at small charge separations giving rise to a repulsive force of short range between opposite sign charges, which is relevant for the existence of bound states. This effect is in agreement with a previous calculation based on Moller scattering, but differently from such calculation we show here that the repulsion appears independently of the presence of a tree level Chern-Simons term which rather affects the large distance behaviour of the potential turning it into a constant.

Structural refinement and photoluminescence properties of irregular cube-like (Ca-1_Cu-x(x))TiO3 microcrystals synthesized by the microwave-hydrothermal method

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Magnetic field dependence of the magnetic susceptibility and the specific heat of the doped plasticized polyaniline (PANI-DB3EPSA)0.5

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

EXAFS and XRD Study of the Structural Evolution during Isothermal Sintering of SnO2 Xerogels

The formation of an ordered (crystalline) phase during isothermal sintering of SnO2 monolithic xerogels, at 200, 250, 300, 400, 500, 600 and 700°C, has been analyzed by the combined use of EXAFS and XRD techniques. For the desiccated gel (110°C), EXAFS results show the formation of small microcrystallites with the incipient cassiterite structure. Between 110 and 250°C, the dehydratation reaction leads to an amorphization evidenced by a decrease of the long and short range crystallographic order. It is due to fissure formation in the xerogel network. For higher temperatures, a continuous coagulation of the crystallites occurs, leading to grain growth. Grain and pore growth obeys the same kinetic relation, so that the microstructure grows by simple enlargement while its morphology is static.

Local order of Pb1-xLaxZr0.40Ti 0.60O3 ferroelectric ceramic materials probed by X-ray absorption and Raman spectroscopies

This paper reports on the structural characterization of Pb 1-xLaxZr0.40Ti0.60O3 (PLZT) ferroelectric ceramic compositions prepared by the conventional solid state reaction method. X-ray absorption spectroscopy (XAS) and Raman spectroscopy were used to probe the local structure of PLZT samples that exhibits a normal and relaxor ferroelectric behavior. From the Zr K-edge and Pb LIII-edge EXAFS spectra, a considerable dissymmetry of Zr and Pb sites was observed in all samples, including those showing a long-range order cubic symmetry and a relaxor behavior. The Raman spectroscopy results confirmed the existence of a local disorder in all PLZT samples through the observation of Raman active vibrational modes. The variation in the intensity of the E(TO 3) mode in the PLZT relaxor samples indicates that the process of correlation between nanodomains stabilizes at temperatures lower than T m. © 2013 Elsevier B.V. All rights reserved.

Estrutura e propriedades de filmes finos ferroelétricos do sistema PZT

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

Fotoluminescência e mecanismo de crescimento em titanatos nanoestruturados

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Rietveld refinement and optical properties of SrWO4:Eu3+ powders prepared by the non-hydrolytic sol-gel method

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Magnetic-size effects in ultrathin layers

We study N-layer samples (N ≤ 10) for the Heisenberg model, with ferro- and antiferromagnetic exchange couplings, using a modified version of the Onsager reaction field approximation. The present scheme includes short-range spin-spin correlations, and allows for layer-dependent order parameters when free surface boundary conditions are imposed. The limits N = 1 (two dimensions) and N → ∞ (three dimensions) can be solved analytically, while systems with several layers have to be numerically calculated. We found no indication of a phase transition at finite temperature up to the sizes investigated (N = 10), the layered systems behaving essentially as two-dimensional. A phase transition is only obtained for the three-dimensional limit. © 1993.