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.

Non-periodic bifurcations of one-dimensional maps

We prove that a 'positive probability' subset of the boundary of '{uniformly expanding circle transformations}' consists of Kupka-Smale maps. More precisely, we construct an open class of two-parameter families of circle maps (f(alpha,theta))(alpha,theta) such that, for a positive Lebesgue measure subset of values of alpha, the family (f(alpha,theta))(theta) crosses the boundary of the uniformly expanding domain at a map for which all periodic points are hyperbolic (expanding) and no critical point is pre-periodic. Furthermore, these maps admit an absolutely continuous invariant measure. We also provide information about the geometry of the boundary of the set of hyperbolic maps.

Periodic waves and solitons of two-photon propagation

We study the two-photon propagation (TPP) modelling equations. The one-phase periodic solutions are obtained in an effective form. Their modulation is investigated by means of the Whitham method. The theory developed is applied to the problem of creation of TPP solitons on the sharp front of a long pulse.

Band-edge states of the zero(th)-order gap in quasi-periodic photonic superlattices

The photonic modes of Thue-Morse and Fibonacci lattices with generating layers A and B, of positive and negative indices of refraction, are calculated by the transfer-matrix technique. For Thue-Morse lattices, as well for periodic lattices with AB unit cell, the constructive interference of reflected waves, corresponding to the zero(th)-order gap, takes place when the optical paths in single layers A and B are commensurate. In contrast, for Fibonacci lattices of high order, the same phenomenon occurs when the ratio of those optical paths is close to the golden ratio. In the long wavelength limit, analytical expressions defining the edge frequencies of the zero(th) order gap are obtained for both quasi-periodic lattices. Furthermore, analytical expressions that define the gap edges around the zero(th) order gap are shown to correspond to the = 0 and = 0 conditions.

Zeros of orthogonal polynomials generated by canonical perturbations of measures

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Structural and Electronic Properties of Lithiated SnO2. A Periodic DFT Study

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Alternative Transfers to the NEOs 99942 Apophis, 1994 WR12, and 2007 UW1 via Derived Trajectories from Periodic Orbits of Family G

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

On the periodic solutions of the static, spherically symmetric Einstein-Yang-Mills equations

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

The stability evolution of a family of simply periodic lunar orbits

The present work deals with a family of simply periodic orbits around the Moon in the rotating Earth Moon-particle system. Taking the framework of the planar, circular, restricted three-body problem, we follow the evolution of this family of periodic orbits using the numerical technique of Poincaré surface of section. The maximum amplitude of oscillation about the periodic orbits are determined and can be used as a parameter to measure the degree of stability in the phase space for such orbits. Despite the fact that the whole family of periodic orbits remain stable, there is a dichotomy in the quasi-periodic ones at the Jacobi constant Cj = 2.85. The quasi-periodic orbits with Cj < 2.85 oscillate around the periodic orbits in a different way from those with Cj > 2.85. © 1999 Elsevier Science Ltd. All rights reserved.

On the integrable perturbations of the Camassa-Holm equation

We present an investigation of the nonlinear partial differential equations (PDE) which are asymptotically representable as a linear combination of the equations from the Camassa-Holm hierarchy. For this purpose we use the infinitesimal transformations of dependent and independent variables of the original PDE. This approach is helpful for the analysis of the systems of the PDE which can be asymptotically represented as the evolution equations of polynomial structure. © 2000 American Institute of Physics.

Solutions for a class of integro-differential equations with time periodic coefficients

In this work, a series solution is found for the integro-differential equation y″ (t) = -(ω2 c + ω2 f sin2 ωpt)y(t) + ωf (sin ωpt) z′ (0) + ω2 fωp sin ωpt ∫t 0 (cos ωps) y(s)ds, which describes the charged particle motion for certain configurations of oscillating magnetic fields. As an interesting feature, the terms of the solution are related to distinct sequences of prime numbers.

Array of Bose-Einstein condensates under time-periodic Feshbach-resonance management

The investigation of the dynamics of a discrete soliton in an array of Bose-Einstein condensates under the action of a periodically time-modulated atomic scattering length [Feshbach-resonance management (FRM)] was discussed. The slow and rapid modulations, in comparison with the tunneling frequency were considered. An averaged equation, which was a generalized discrete nonlinear Schrödinger equation, including higher-order effective nonlinearities and intersite nonlinear interactions was derived in the case of the rapid modulation. It was demonstrated that the modulations of sufficient strength results in splitting of the soliton by direct simulations.

On the existence and stability of periodic orbits in non ideal problems: General results

In this work, motivated by non-ideal mechanical systems, we investigate the following O.D.E. ẋ = f (x) + εg (x, t) + ε2g (x, t, ε), where x ∈ Ω ⊂ ℝn, g, g are T periodic functions of t and there is a 0 ∈ Ω such that f (a 0) = 0 and f′ (a0) is a nilpotent matrix. When n = 3 and f (x) = (0, q (x 3) , 0) we get results on existence and stability of periodic orbits. We apply these results in a non ideal mechanical system: the Centrifugal Vibrator. We make a stability analysis of this dynamical system and get a characterization of the Sommerfeld Effect as a bifurcation of periodic orbits. © 2007 Birkhäuser Verlag, Basel.

Third-body perturbation in the case of elliptic orbits for the disturbing body

In the present work it is presented a semi-analytical and a numerical study of the perturbation caused in a spacecraft by a third body using a double averaged analytical model with the disturbing function expanded in Legendre polynomials up to the second-order. The important reason for this procedure is to eliminate the terms due to the short time periodic motion of the spacecraft and to show smooth curves for the evolution of the mean orbital elements for a long time period. The aim of this study is to calculate the effect of lunar perturbations on the orbits of spacecrafts that are traveling around the Earth. It is presented an analysis of the stability of a near-circular orbit and a study to know under which conditions this orbit remains near-circular. A study of the equatorial orbits is also performed.

On the photonic dispersion of periodic superlattices made of left-handed materials

Studies of the band gap properties of one-dimensional superlattices with alternate layers of air and left-handed materials are carried out within the framework of Maxwell's equations. By left-handed material, we mean a material with dispersive negative electric and magnetic responses. Modeling them by Drude-type responses or by fabricated ones, we characterize the n(ω) = 0 gap, i.e., the zeroth order gap, which has been predicted and detected. The band structure and analytic equations for the band edges have been obtained in the long wavelength limit in case of periodic, Fibonacci, and Thue-Morse superlattices. Our studies reveal the nature of the width of the zeroth order band gap, whose edge equations are defined by null averages of the response functions. Oblique incidence is also investigated, yielding remarkable results. © 2010 Springer Science+Business Media B.V.