Numerical study of quantum transport in carbon nanotube transistors

A deeper understanding of quantum effects in nano-electronic devices helps to improve the functionality and to develop new device types. The performance of carbon nanotube (CNT) field-effect transistor is studied using the non-equilibrium Green’s function (NEGF) formalism. The effects of elastic and inelastic scattering and the impact of parameters, such as electron–phonon coupling strength and phonon energy, on the device performance are analyzed.     

Solving surface structures from normal incidence X-ray standing wave data

A program is provided to determine structural parameters of atoms in or adsorbed on surfaces by refinement of atomistic models towards experimentally determined data generated by the normal incidence X-ray standing wave (NIXSW) technique. The method employs a combination of Differential Evolution Genetic Algorithms and Steepest Descent Line Minimisations to provide a fast, reliable and user friendly tool for experimentalists to interpret complex multidimensional NIXSW data sets.

Program summary

Program title: NIXSW Planewave SolverCatalogue identifier: ADZE_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZE_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 16 874No. of bytes in distributed program, including test data, etc.: 1 631 874Distribution format: tar.gzProgramming language: Borland C++ Builder 5Computer: Any Windows CompatibleOperating system: Windows 2000 and XPRAM: <10 MBClassification: 7.4Nature of problem: Using NIXSW experimental data to calculate atomic positions of adsorbates.Restrictions: Data from substrates must have cubic, tetragonal or orthorhombic crystal structures i.e. with 90° between conventional cell axes.Running time: Seconds-minutes dependant on the number of plane waves and the number of atomic sites.     

Study on TiO2-doped ZnO thick film gas sensors enhanced by UV light at room temperature

The gas-sensing properties of titanium oxide (TiO₂)-doped zinc oxide (ZnO) thick film sensor specimens to typical ethanol vapor under UV light activation at room temperature have been investigated. Zinc nanoparticles were mixed with commercial TiO₂ in various weight percentage (0%, 1%, 5%, and 10%) and sintered at 650 °C for 2 h to prepare the thick film sensors. The sensors exhibit better photosensitivity and gas sensitivity to ethanol analyte. The response and recovery times are within 8 s. TiO₂ doping can improve the sensors stability and reproducibility. X-ray diffraction (XRD) and scanning electron microscopy (SEM) characterization of the film materials revealed that Zn₂TiO₄ and TiO₂ phases hindered the rod- or needle-like structure growth and subsequently affected the gas sensitivity. UV absorption spectra of the sensing film material completely dispersed in ethanol solution exhibited that the red shifts were caused with the doping of a small amount of TiO₂ into ZnO then blue shift was caused with higher TiO₂ level. The results of the UV spectra are well consistent with the photosensitive performance. The maximum sensitivity can be achieved by doping the amount of TiO₂ (5 wt%).     

On energy conservation for finite element approximation of flow-induced airfoil vibrations

In this paper the numerical approximation of a two-dimensional fluid–structure interaction problem is addressed. The fully coupled formulation of incompressible viscous fluid flow interacting with a flexibly supported airfoil is considered. The flow is described by the incompressible system of Navier–Stokes equations, where large values of the Reynolds number are considered. The Navier–Stokes equations are spatially discretized by the finite element method and stabilized with a modification of the Galerkin Least Squares (GLS) method; cf. [T. Gelhard, G. Lube, M.A. Olshanskii, J.-H. Starcke, Stabilized finite element schemes with LBB-stable elements for incompressible flows, Journal of Computational and Applied Mathematics 177 (2005) 243–267]. The motion of the computational domain is treated with the aid of Arbitrary Lagrangian Eulerian (ALE) method and the stabilizing terms are modified in a consistent way with the ALE formulation.     

Quasi-analytical study of the energy levels in double quantum wells

In this work we develop an analytical expression to the eigenvalue equation for the double quantum well (DQW), to describe the energy gap between resonant levels. The calculation of the energy gap does not involve the evaluation of the wavefunctions for the DQW nor the transfer or tunneling integrals in contrast to how it is usually done.     

Influence of oxygen pressure on Nd:LuVO4 films grown by pulsed laser deposition

High quality Nd-doped lutecium vanadate thin films on silica glass substrates were fabricated successfully by using a pulsed laser deposition technique. The properties of the samples were characterized by using X-ray diffraction, Rutherford backscattering, atomic force microscopy (AFM), and prism-coupling measurements. The RBS shows that the ratio of Lu/V in the film is 0.991, which is in good agreement with the target composition. X-ray diffraction results show that the degree of crystal orientation along (2 0 0) increases with increasing oxygen pressure up to 20 Pa. The refractive indices of the films determined with dark-mode prism coupling measurements are slight, smaller than that of the bulk crystal. An optimum 20 Pa oxygen pressure, at which the oxygen was leaked into the chamber as the reactive ambient, was determined.     

Stochastic optimization for the calculation of the optimal critical curve from experimental data in a model of the process of regaining balance after perturbation from quiet stance

We demonstrate the successful application of ALOPEX stochastic optimization to the problem of calculating the optimal critical curve in a dynamical systems model of the process of regaining balance after perturbation from quiet stance. Experimental data provide the time series of angles for which the subjects were able to regain balance after an initial perturbation. The optimal critical curve encloses all data points and has a minimum distance from the border points of the data set. We demonstrate the results of the optimization firstly using the traditional cost function of chi-square distance. We then successfully introduce a modified cost function that fits the model to the experimental data by taking into account the specific requirements of the model. By use of the proposed cost function, combined with the efficiency of our optimization method, an optimal critical curve is calculated even in the cases of very asymmetric data sets that lie within the capabilities of the existing model.     

Electric and magnetic properties of Pb(Zr0.52Ti0.48)O3-CoFe2O4 particle composite thin film on the SrTiO3 substrate

We deposited a thin epitaxial Pb(Zr_0.52Ti_0.48)O₃ (PZT) layer on the (0 0 1) SrTiO₃ (STO) substrate doped with Nb (0.5 wt.%), then grew composite thin film of CoFe₂O₄ (CFO) and PZT phases on it. X-ray diffraction and high resolution transmission electron microscopy showed that the PZT and CFO phases in the film had perfect epitaxial structures. CFO nanoparticles were embedded in PZT matrix randomly, which was useful to enhance the insulativity of the composite film. The composite thin film exhibited good ferromagnetic and ferroelectric properties. The dielectric constants of the composite thin film kept unchangeable in a wide bias electric field, but increased in a magnetic field, namely, magnetodielectric effect. The possible reasons for the magnetodielectric effect were discussed.     

Low temperature photoluminescence and infrared dielectric functions of pulsed laser deposited ZnO thin films on silicon

C-axis oriented ZnO thin films were grown on silicon (100) and (111) substrates by pulsed laser deposition. Low temperature photoluminescence spectra show besides the peaks of free excitons, of defect bound excitons, and of a donor-acceptor pair transition a new doublet at 3.328/3.332 eV. The doublet seems to originate from the columnar textured ZnO film structure. A corresponding structural dependence of the broadening parameter of the infrared dielectric functions was derived from spectroscopic ellipsometry in the spectral range from 380 to 1200 cm^− 1. The wave numbers of the E₁ transverse optical and A₁ longitudinal optical phonon modes of the ZnO films on silicon are determined to be 406 and 573 cm^− 1, respectively. These values are slightly smaller than those of single-crystalline ZnO thin films on sapphire.     

Pb(Zr0.52Ti0.48)O3/TiNi multilayered heterostructures on Si substrates for smart systems

Ferroelectric/shape memory alloy thin film multilayered heterostructures possess both sensing and actuating functions and are considered to be smart. In this article, Pb(Zr_0.52Ti_0.48)O₃ (PZT) ferroelectric thin films and Ti-riched TiNi shape memory alloy thin films have been deposited on Si and SiO₂/Si substrates in the 400-600 °C temperature range by pulsed laser deposition technique. Deposition processing, microstructure and surface morphology of these films are described. The TiNi films deposited at 500 °C had an austenitic B2 structure with preferred (110) orientation. The surfaces of the films were very smooth with the root-mean-square roughness on a unit cell level. The structure of the TiNi films had a significant influence on that of the subsequently deposited PZT films. The single B2 austenite phase of the TiNi favored the growth of perovskite PZT films. The PZT/TiNi heterostructures with the PZT and TiNi films respectively deposited at 600 and 500 °C exhibited a polarization-electric field hysteresis behavior with a leakage current of about 2 × 10^− 6 A/cm².