Tuning the electrical conductivity of nanotube-encapsulated metallocene wires

We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, which are based on a combination of nonequilibrium Green function techniques and density functional theory, indicate that these wires can be engineered to exhibit desirable magnetotransport effects for use in spintronics devices. The proposed structures should also be resilient to room-temperature fluctuations, and are expected to have a high yield.     

Titanium dioxide doped with transition metals (MxTi1?xO2, M: Ni, Co): synthesis and characterization for its potential application as photoanode

This study presents the synthesis of TiO₂ doped with different amounts of Co and Ni, starting from a simple metallic titanium powder. A successful electrophoretic deposition of these materials on ITO electrodes was achieved for its potential application as photoanodes. EDX, diffuse reflectance UV–Vis spectroscopy, and XRD measurements gave information on the chemical composition of the material and the location of the Ni or Co within the crystal structure of TiO₂. Raman spectroscopy suggests that for a higher content of doping metal above a defined percentage, the formation of metal oxide is promoted. A preliminary study of photoelectrocatalytic orange dye degradation shows higher color removal efficiency as compared to the commercial TiO₂ material.     

Surface reconstruction and decahedral structure of bimetallic nanoparticles

We report on energetic surface reconstruction phenomena observed on bimetallic nanoparticle systems of AuPd and AuCu, similar to a resolidification effect observed during the cooling process in lead clusters. These binary alloy nanoparticles show the fivefold edges truncated, resulting in [100] facets on decahedral structures, an effect largely envisioned and reported theoretically, with no experimental evidence so far. We demonstrate experimentally as well as by computational simulations that this new eutectic structure is favored in such nanoalloy systems.     

Impurities in noncubic crystals: stabilization mechanisms for Jahn-Teller ions in layered perovskites

Mechanisms responsible for the local geometry around Jahn-Teller impurities in K2NiF4 type lattices are shown to be different from those generating the warping in cubic crystals. The present density functional theory calculations reveal that the elastic anisotropy of the host lattice (visible for closed shell impurities) and the electric field created by the rest of lattice ions upon active electrons make it possible to have d(9) ions in an elongated geometry but with a A(1g) ground state. The puzzling difference between equilibrium geometries for Cu2+ and Ni+ in layered perovskites can reasonably be understood.     

Control of spontaneous emission by complex nanostructures

Spontaneous emission in the presence of complex nanostructures is discussed by use of a calculational scheme that permits us to deal with interfaces of arbitrary shape. Control over the field associated with the emission is shown to be attainable. In particular, decay rates are offered for geometries that lead to focusing and collimation of near- and far-field distributions. Emission from axially symmetric gratings is shown to lead to narrow angular distributions of emission, and focusing at the foci of dielectric ellipsoids is achieved for dimensions comparable with the wavelength. In the latter case the total emission rate for two atoms in an ellipsoidal cavity is shown to be enhanced in a way that deviates from the predictions of the Dicke effect by means of intermediate- and far-field contributions.     

Growth and characterization of Nd-doped SBN single crystal fibers

The growth from ceramic pedestals of single crystal fibers of strontium barium niobate (SBN), doped with different Nd concentrations, was studied. High-quality fibers were grown for Nd doping levels of up to 4.2 at.%, and doping levels as high as 9.9 at.% were reached. No signs of core effects were observed, even for the highest concentration samples. The emission spectra of Nd³⁺ ions in the fibers did not differ from those obtained from bulk SBN crystals, showing very broad bands due to the typical disorder of the crystallographic tungsten-bronze structure. Fluorescence quenching was clearly observed for Nd doping levels above 2 at.%. PACS 81.10.Fq; 78.55.-m     

Lagrange solution for three wavelength solitary wave clusters in nematic liquid crystals

We investigate the interaction of three optical solitary waves propagating with angular momentum in bulk nematic liquid crystals. The resulting cluster of solitary waves, or nematicons, is shown to orbit about its common centre of “mass”. An elongated isosceles triangle configuration is derived, this solution being the equivalent of the Lagrange solution of Newtonian gravitation. This triangle solution is found to be stable owing to diffractive radiation. A modulation theory explains the existence of the triangle solution as due to the non-monotonicity of an effective potential for the interaction of the solitary waves. This modulation theory also gives good agreement with numerical solutions for the trajectories of the nematicons in the three colours. Finally, it is shown that a cut-off in the shed diffractive radiation prevents the break-up of the triangle due to radiative losses.     

On the Small Mass Limit of Quantum Brownian Motion with Inhomogeneous Damping and Diffusion

We study the small mass limit (or: the Smoluchowski–Kramers limit) of a class of quantum Brownian motions with inhomogeneous damping and diffusion. For Ohmic bath spectral density with a Lorentz–Drude cutoff, we derive the Heisenberg–Langevin equations for the particle’s observables using a quantum stochastic calculus approach. We set the mass of the particle to equal \(m = m_{0} \epsilon \), the reduced Planck constant to equal \(\hbar = \epsilon \) and the cutoff frequency to equal \(\varLambda = E_{\varLambda }/\epsilon \), where \(m_0\) and \(E_{\varLambda }\) are positive constants, so that the particle’s de Broglie wavelength and the largest energy scale of the bath are fixed as \(\epsilon \rightarrow 0\). We study the limit as \(\epsilon \rightarrow 0\) of the rescaled model and derive a limiting equation for the (slow) particle’s position variable. We find that the limiting equation contains several drift correction terms, the quantum noise-induced drifts, including terms of purely quantum nature, with no classical counterparts.     

Advances in positron and electron scattering*

The topical issue on Advances in Positron and Electron Scattering” combines contributionsfrom POSMOL 2015 together with others devoted to celebrate the unprecedented scientificcareers of our loyal colleagues and trusted friends Steve Buckman (Australian NationalUniversity, Australia) and Michael Allan (University of Fribourg, Switzerland) on theoccasion of their retirements. POSMOL 2015, the XVIII International Workshop on Low-EnergyPositron and Positronium Physics and the XIX International Symposium on Electron-MoleculeCollisions and Swarms, was held at Universidade NOVA de Lisboa, Lisboa, Portugal, from17–20 July 2015. The international workshop and symposium allowed to achieve a veryprivileged forum of sharing and developing our scientific expertise on current aspects ofpositron, positronium and antiproton interactions with electrons, atoms, molecules andsolid surfaces, and related topics, as well as electron interactions with molecules inboth gaseous and condensed phases. Particular topics include studies of electroninteractions with biomolecules, electron induced surface chemistry and the study of plasmaprocesses. Recent developments in the study of swarms are also fully addressed.     

Doubly stochastic coherence via noise-induced symmetry in bistable neural models

The generation of coherent dynamics due to noise in an activator-inhibitor system describing bistable neural dynamics is investigated. We show that coherence can be induced in deterministically asymmetric regimes via symmetry restoration by multiplicative noise, together with the action of additive noise which induces jumps between the two stable steady states. The phenomenon is thus doubly stochastic, because both noise sources are necessary. This effect can be understood analytically in the frame of a small-noise expansion and is confirmed experimentally in a nonlinear electronic circuit. Finally, we show that spatial coupling enhances this coherent behavior in a form of system-size coherence resonance.