Electronic structure of Sc2AC (A=Al, Ga, In, Tl)

Using ab initio calculations, we have studied Sc₂AC with A=Al, Ga, In and Tl. We show that C 2p and Sc 3d as well as A p and Sc 3d states are hybridized, but the antibonding states in the vicinity of the Fermi level weaken the overall bonding. In terms of the chemical bonding, the influence of the size of the A element is minute. Furthermore, the bulk modulus of the corresponding binary transition metal carbide is not conserved in these phases. Therefore, Sc₂AC can be classified as weakly coupled MAX phases according to Sun and co-workers [Z. Sun, D. Music, R. Ahuja, S. Li, J.M. Schneider, Phys. Rev. B 70 (2004) 092102]. It is our ambition that these calculations will stimulate experimental research on these compounds.     

Phospha-palladacycles and N-heterocyclic carbene palladium complexes: efficient catalysts for CC-coupling reactions

Due to the great importance of palladium-catalyzed Heck-type reactions in scientific and industrial chemistry, a lot of publications and reviews have been published during the last years describing this matter under different aspects. This article presents a summary of catalytic applications of palladium complexes with phosphorus ligands containing a metallated sp³-carbon centre (“palladacycles”) or with N-heterocyclic carbene ligands in C-C and C-N coupling reactions of aryl halides including recent results of mechanistic discussions about their role in the catalytic cycle.     

Exchange of stability and finite-dimensional dynamics in a bifurcation problem with marginally stable continuous spectrum

We consider solutions bifurcating from a spatially homogeneous equilibrium under the assumption that the associated linearization possesses continuous spectrum up to the imaginary axis, for all values of the bifurcation parameter, and that a real eigenvalue crosses the imaginary axis. For a model we investigate the nonlinear stability of the trivial solution with respect to spatially localized perturbations, prove the occurrence of a pitchfork bifurcation of equilibria and the nonlinear stability of the bifurcating equilibria, again with respect to spatially localized perturbations.     

Dynamics of Multisection Semiconductor Lasers

We consider a mathematical model (the so-called traveling-wave system) which describes longitudinal dynamical effects in semiconductor lasers. This model consists of a linear hyperbolic system of PDEs, which is nonlinearly coupled with a slow subsystem of ODEs. We prove that a corresponding initial-boundary value problem is well posed and that it generates a smooth infinite-dimensional dynamical system. Exploiting the particular slow-fast structure, we derive conditions under which there exists a low-dimensional attracting invariant manifold. The flow on this invariant manifold is described by a system of ODEs. Mode approximations of that system are studied by means of bifurcation theory and numerical tools.     

Qualitative Theory and Identification of Dynamic System with One Degree of Freedom

Dynamic systems described by nonlinear differential equations of the second order are studied. It is assumed that certain preliminary information on the dissipative or elastic characteristics of systems is known. A new approach is demonstrated to obtaining full information on unknown or partially known characteristics of a system from measurements of not only displacements but also velocities and accelerations __________ Published in Prikladnaya Mekhanika, Vol. 41, No. 6, pp. 139–143, June 2005.     

Pulsed laser deposition of atomically flat La1-xSrxMnO3 thin films using a novel target geometry

A new ablation target geometry is presented that was used to produce thin films of La_1-xSr_xMnO₃ grown heteroepitaxially on SrTiO₃ by pulsed reactive crossed-beam laser ablation. The films were grown in order to perform angle-resolved photoelectron spectroscopy, which demands that the surface be atomically flat. In situ and ex situ analysis shows that this condition was met, even after depositing to a thickness of over 100 nm. PACS 61.10.-i; 61.18.Bn; 68.47.Gh; 71.27.+a; 81.15.Fg