Robust D-wave pairing correlations in a hole-doped spin-fermion model

Pairing correlations are studied numerically in a hole-doped spin-fermion model. Simulations performed on up to 12 x 12 clusters provide indications of D-wave superconductivity away from half-filling comparable to those of the 2D t-J model. The pairing correlations are the strongest in the direction perpendicular to the dynamic stripes that appear in the ground state at some densities. An optimal doping, where correlations are maximized, was observed at approximately 25% doping with an estimated T(c) approximately 100-200 K, in qualitative agreement with high-T(c) cuprates' phenomenology, while pairing correlations are suppressed by static stripe inhomogeneities.     

Near infrared to UV dielectric functions of Al doped ZnO films deposited on c-plane sapphire substrate using pulsed laser deposition

Transparent conducting polycrystalline Al-doped ZnO (AZO) films were deposited on sapphire substrates at substrate temperatures ranging from 200 to 300 °C by pulsed laser deposition (PLD). X-ray diffraction measurement shows that the crystalline quality of AZO films was improved with increased substrate temperature. The electrical and optical properties of the AZO films have been systematically studied via various experimental tools. The room-temperature micro-photoluminescence (µ-PL) spectra show a strong ultraviolet (UV) excitonic emission and weak deep-level emission, which indicate low structural defects in the films. A Raman shift of about 11 cm⁻¹ is observed for the first-order longitudinal-optical (LO) phonon peak for AZO films when compared to the LO phonon peak of bulk ZnO. The Raman spectra obtained with UV resonant excitation at room temperature show multi-phonon LO modes up to third order. Optical response due to free electrons of the AZO films was characterized in the photon energy range from 0.6 to 6.5 eV by spectroscopic ellipsometry (SE). The free electron response was expressed by a simple Drude model combined with the Cauchy model are reported.     

Real-Time Reconfigurable Interconnections for Parallel Optical Processing

In this letter we describe the advantages of a dynamic optical interconnection system for parallel information processing applications. The system is based on a liquid crystal television which acts as a binary phase-only spatial light modulator. We describe example algorithms where reconfigurable interconnects would be useful and present results of several interconnection topologies which have been implemented.Presented at the International Commission for Optics Topical Meeting, Kyoto, 1994.     

Cooperative interaction between π-hole and single-electron σ-hole interactions in O2S···NCX···CH3 and O2Se···NCX···CH3 complexes (X = F,Cl, Br and I)

Ab initio calculations are performed to analyse the cooperative effects between π-hole and single-electron σ-hole interactions in O₂S···NCX···CH₃ and O₂Se···NCX···CH₃ complexes, where X = F, Cl, Br and I. These effects are investigated in terms of geometric and energetic features of the complexes, which are computed by UMP2/aug-cc-pVTZ(-PP) method. Our results indicate that the shortening of the each π-hole bond distance in the complexes is dependent on the strength of the σ-hole interaction. The maximum and minimum energetic cooperativity values correspond to the most and least stable complexes studied in the present work. The cooperativity between both types of interaction is chiefly caused by the electrostatic effects. The topological analysis, based on the quantum theory of atoms in molecules, is used to characterise the interactions and analyse their enhancement with varying electron density at bond critical points.     

Kinetic study of electrochemically induced Michael reactions of o‐benzoquinones with 2‐acetylcyclohexanone and 2‐acetylcyclopentanone

The reaction of electrochemically generated o‐benzoquinones ( 2a‐f ) as Michael acceptors with 2‐acetylcyclohexanone (ACH) and 2‐acetylcyclopentanone (ACP), as nucleophiles has been studied in various pHs using cyclic voltammetry. The results indicate that the participation of o‐benzoquinones ( 2a‐f ) in the Michael reaction with acetylcyclohexanone (ACH) to form the corresponding catechol derivatives ( 4a‐f ). Based on an EC mechanism, the homogeneous rate constants were estimated by comparing the experimental cyclic voltammetric responses with the digital simulated results. Copyright © 2007 John Wiley & Sons, Ltd.     

Influence of tungsten doping concentration on the electronic and optical properties of anatase TiO2

The structural, electronic and optical properties of tungsten-doped TiO₂ have been investigated using density functional theory with plane wave basis sets and ultrasoft pseuodopotential. Substitutional W doping at Ti sites create W 5d states just below the conduction band minimum while interstitial W doping gives isolated W 5d states in the middle of forbidden region. Averaged bond lengths show that W doping at Ti sites produce minimum structural distortion as compared to the interstitial W-doped TiO₂. Substitutional W-doped TiO₂ has better visible light absorption compared to interstitial W-doped TiO₂ and has stable configuration which provide reasonable explanation for the experimental findings. Tungsten doping in TiO₂ with different doping concentrations is investigated as an enabling concept for enhancing the visible light absorption. Optical properties show that optimal W doping concentration would improve the visible light absorption. 2.08% W doping concentration gives strong visible and ultraviolet light absorption among all doped models found consistent with experiments.     

Molecular dynamics simulations of hydrogen adsorption/desorption by palladium decorated single-walled carbon nanotube bundle

Utilising molecular dynamics simulations, the hydrogen molecules adsorption isotherms of the (8,?0) palladium decorated single-walled carbon nanotube (SWNT) were obtained. The hydrogen adsorption was studied on the external, interstial and internal surfaces of the SWNT bundle at several temperatures ranging from 77 to 400?K. The results were compared with the bare single-walled carbon nanotube bundle under the same conditions. The decorated carbon nanotube bundle hydrogen adsorption was significantly higher than that of the bare one. The hydrogen desorption and readsorption were studied using temperature as the readsorption/desorption variable. The rate constants were calculated for the hydrogen desorption at different temperatures. The calculated decorated SWNT bundle hydrogen desorption activation energy was higher than that for the bare SWNT bundle. The calculated activation energies for the hydrogen desorption in both nanotube bundles specified the temperature dependency of hydrogen desorption.     

Analysis,design and simulation of MIM plasmonic filters with different geometries for technical parameters improvement

In this paper, four optical filter topologies based on metal–insulator–metal waveguides are proposed and the designed structures are investigated numerically using finite-difference timedomain method. Triangular-shaped adjunctions have been added to the filter structures to improve their transmission spectrum. These improved structures consist of air as the insulator and silver as the metal. The relative permittivity of metal has been described via the Drude,Drude–Lorentz, and Palik models. The first filter's transmission spectrum shows an acceptable transmittance. In the second optimized filter, the transmission spectrum has been improved. The transmittance spectrum can be tuned through adjusting the edge of the triangle in these four optimized filters. As a result, the bandwidths of resonance spectra can be adjusted. The theory of such tapered structures will be investigated by the tapered transmission line and will be solved with the transfer matrix method. This method shows a better performance and higher transmission efficiency in comparison with the basic structures. On the other hand, the final filter has been chosen as the best one because of its hexagonal resonator. The main reason for having a better result is due to a longer interaction length in comparison with the circular resonator. This in turn creates much better energy coupling and results in higher transmission.