The effects of O deficiency on the electronic structure of rutile TiO2

Ab initio density functional calculations (plane wave GGA, CASTEP) were performed to determine the effect of O deficiency on the electronic structure of rutile, TiO₂. O deficiency was introduced through either the removal of O or the insertion of interstitial Ti atoms. At physically realistic concentrations of O vacancies in the rutile lattice (i.e. 25% and less) O deficiency results in the population of the bottom of the conduction band, the location of the Ti 3d orbitals in the pure structure, increasingly with increasing vacancy concentration. We propose that this could be confused with the formation and population of gap states especially where O vacancies occur in isolated positions in the lattice. In contrast, Ti interstitials introduce a defect state into the energy gap, without an overall reduction in the size of the energy gap. O vacancies result in a spin polarized solution, whereas Ti interstitials do not.     

First Results of Ion Trapping in the Dresden EBIT II

Hyperfine Interactions - It is well known that many reinforced concrete structures are at risk of deterioration due to chloride ion contamination of the concrete or atmospheric carbon dioxide...     

Global stability and periodic solution of the viral dynamics

It is well known that the mathematical models provide very important information for the research of human immunodeficiency virus-type 1 and hepatitis C virus (HCV). However, the infection rate of almost all mathematical models is linear. The linearity shows the simple interaction between the T cells and the viral particles. In this paper, we consider the classical mathematical model with saturation response of the infection rate. By stability analysis we obtain sufficient conditions on the parameters for the global stability of the infected steady state and the infection-free steady state. We also obtain the conditions for the existence of an orbitally asymptotically stable periodic solution. Numerical simulations are presented to illustrate the results.     

1/f Noise in dye-sensitized solar cells and NIR photon detectors

All electronic devices are plagued with 1/f noise originating from many causes. The most important factors contributing to 1/f noise in a semiconductor is believed to be recombination of carriers and their trapping at defects and impurity sites. Adsorption of moisture and electron acceptor molecules enhances the intensity of 1/f noise. Amazingly, some molecular species that strongly chelate to the semiconductor surface, suppress 1/f noise owing to passivation of the recombination sites. Thus in addition to sensitization, the dye adsorbed on the nanocrystallites plays a key role in mitigation of recombinations. For this reason dye-sensitized heterojunctions could also find application as low noise NIR photon detectors. Experiments conducted with oxide semiconductors (TiO₂, ZnO, SnO₂) indicate that the mode of binding of dyes at specific sites determines the extent to which the recombination and 1/f noise are suppressed. The transport of electrons in a nanocrystalline matrix is diffusive with a diffusion coefficient D depending on the trapping and detrapping processes. Thus passivation of trapping sites by the adsorbed dye is expected to increase the response time which can be expressed as τ  L²/D, where L = thickness of the nanocrystalline film. Measurement techniques and construction of a dye-sensitized NIR photon detector will be discussed.     

On the extension of automorphisms of polynomial rings

Translated fromSibirskii Matematicheskii Zhurnal, Vol. 36, No. 4, pp. 911–916, July–August, 1995.     

Quantum information processing in optical images

Optical images can be used to transport, store and process information in a parallel way. We discuss different results obtained in the domain of ‘quantum imaging’, aiming at exploiting at the same time the quantum properties of optical images and their intrinsic parallelism. We define the notion of standard quantum limit (SQL) in optical resolution, set by the quantum noise of usual coherent light, and show that it can be much lower than the diffraction limit. We also prove that this limit can be circumvented by especially designed nonclassical and multimode light. We present an experiment showing that OPOs oscillating inside an exactly confocal cavity actually produce such transverse multimode nonclassical light. We finally describe another experiment which has surpassed the SQL in the case of beam positioning, both in the 1D and 2D cases.     

Bestmögliche innere Schalengleichungen für schubweiche Werkstoffe unter Berücksichtigung von Dickenänderungen

Übersicht Konsistente Schalentheorien lassen sich in einer besonders anschaulichen Weise durch lineare Approximation der Erhaltungssätze eines als Multi-Direktor-Körper beschriebenen, dreidimensionalen Kontinuums herleiten. Im vorliegenden Beitrag entstchen auf diesem Wege bestmögliche, in Geschwindigkeiten formulierte innere Schalengleichungen für beliebig große Deformationen und willkürliche, in eine Leistungsaussage einpaßbare Materialgesetze. Dabei finden Schub- und Querdeformationen Berücksichtigung. Der optimale Charakter der Schalentheorie mit gleichen Unschärfen in allen Einzelbeziehungen wird durch den Herleitungsgang sichergestellt und durch Einschrankungen mittels lokaler Tensornormen bewiesen.

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Best interior shell equations including transverse shear deformations and thickness changes

Summary Consistent shell theories can be derived in a particular correct manner by linear approximation of conservation laws of a three-dimensional continuum, described as a multi-director-body. In the present paper best interior shell equations-formulated in velocities—are developed, valid for arbitrarily large deformations and rather optional material laws, incorporating shear distorsions and thickness changes. The optimal character of the theory is guaranteed by the derivation process and proven by bounding techniques using tensor norms.

     

X-ray induced fluorescence spectrometry at grazing incidence for quantitative surface and layer analysis

Summary Single layers and layer systems on diverse substrates were measured by Total Reflection X-Ray Fluorescence (TXRF) spectrometry. The angular dependence of the fluorescence intensities at grazing incidence allows the elemental composition, density and thickness of the layers to be evaluated using model calculations.