Theoretical study on the structures and electronic spectra of TCNE2-.

Investigations into the charge-separated states and electron-transfer transitions in tetracyanoethylene (TCNE) complexes have recently generated much interest. In this work we present theoretical calculations showing that the most stable structure of the dianion TCNE2- has D2d symmetry in vacuum as well as in the solvents dichloromethane and acetonitrile. By means of the coupled cluster linear response, we compute the vertical electronic spectrum in both the gas phase and solution. The theoretical results are compared to the experimental data and good agreement is achieved.     

Lower bounds for transition probabilities on graphs

The paper presents two results. The first one provides separate conditions for the upper and lower estimates of the distribution of the time of exit from balls of a random walk on a weighted graph. The main result of the paper is that the lower estimate follows from the elliptic Harnack inequality. The second result is an off-diagonal lower bound for the transition probability of the random walk.     

Relation de Rankine Hugoniot faible pour les lois de conservation avec contraintes primitives convexes

We describe a Weak Rankine Hugoniot relation for constrained discontinuous solutions of conservation laws. The constraint is convex in the primitive variable. Various examples show the potential interest of this approach. To cite this article: B. Després, C. R. Acad. Sci. Paris, Ser. I 342 (2006).     

AlGaN/GaN HEMTs grown on silicon (001) substrates by molecular beam epitaxy

We report the realization of an AlGaN/GaN HEMT on silicon (001) substrate with noticeably better transport and electrical characteristics than previously reported. The heterostructure has been grown by molecular beam epitaxy. The 2D electron gas formed at the AlGaN/GaN interface exhibits a sheet carrier density of 8×10¹² cm⁻² and a Hall mobility of 1800 cm²/V s at room temperature. High electron mobility transistors with a gate length of 4 μm have been processed and DC characteristics have been achieved. A maximum drain current of more than 500 mA/mm and a transconductance g_m of 120 mS/mm have been obtained. These results are promising and open the way for making efficient AlGaN/GaN HEMT devices on Si(001).     

On the Behavior of Some Second Order Nonlinear Differential Equations

Qualitative behavior of second order nonlinear differential equations of type y″+p(t)y+q(t)f(y)=0, is studied. It includes properties such as positivity, number of zeros, oscillating nature, boundedness and monotonicity of the solutions.     

On the Rees algebra of certain codimension two perfect ideals

 Suppose ? is a set of arbitrary number of smooth points in ℙ² its defining ideal. In this paper, we study the Rees algebras of the ideals generated by I _t , t ≥α. When the points of ? are general, we give a set of defining equations for the Rees algebra . When the points of ? are arbitrary, we show that for all t≫ 0, the Rees algebra is Cohen-Macaulay and its defining ideal is generated by quadratics. A cohomological characterization for arithmetic Cohen-Macaulayness of subvarieties of a product space is also given. Received 4 April 2001     

On a recursive method for the estimation of unknown parameters of partially observed chaotic systems

We investigate a recently proposed method for on-line parameter estimation and synchronization in chaotic systems. This novel technique has been shown effective to estimate a single unknown parameter of a primary chaotic system with known functional form that is only partially observed through a scalar time series. It works by periodically updating the parameter of interest in a secondary system, with the same functional form as the primary one but no explicit coupling between their dynamic variables, in order to minimize a suitably defined cost function. In this paper, we review the basics of the method, and investigate its robustness and new extensions. In particular, we study the performance of the novel technique in the presence of noise (either observational, i.e., an additive contamination of the observed time series, or dynamical, i.e., a random perturbation of the system dynamics) and when there is a mismatch between the primary and secondary systems. Numerical results, including comparisons with other techniques, are presented. Finally, we investigate the extension of the original method to perform the estimation of two unknown parameters and illustrate its effectiveness by means of computer simulations.     

Highly polarized dithiafulvenes: synthesis and nonlinear optical properties

Push-pull dithiafulvenes with reduced bond length alternation (BLA) and high optical nonlinearities have been prepared. The interplay between the proaromaticity of the donor and the structural and optical properties of these merocyanines is discussed. The donor ability of dithiafulvenes can reach that of ferrocene or dialkylaminophenyl groups.     

On the polarization of non-paraxial transverse fields

On the basis of a plane-wave spectrum representation, the polarization features of a transverse quasimonochromatic non-paraxial field have been studied. A relationship has been established between the polarization characteristics in the near field and the coherence and symmetry properties of the beam in the far field.