Relative concentration and structure of native defects in GaP

The native defects in the compound semiconductor GaP have been studied using a pseudopotential density functional theory method in order to determine their relative concentrations and the most stable charge states. The electronic and atomic structures are presented and the defect concentrations are estimated using calculated formation energies. Relaxation effects are taken into account fully and produce negative-U charge transfer levels for VP and PGa. The concentration of VGa is in good agreement with the results of positron annihilation experiments. The charge transfer levels presented compare qualitatively well with experiments where available. The effect of stoichiometry on the defect concentrations is also described and is shown to be considerable. The lowest formation energies are found for PGa +2 in p-type and VGa −3 in n-type GaP under P-rich conditions, and for GaP −2 in n-type GaP under Ga-rich conditions. Finally, the finite size errors arising from the use of supercells with periodic boundary conditions are examined

Electron transport in Coulomb- and tunnel-coupled one-dimensional systems

We develop a linear theory of electron transport for a system of two identical quantum wires in a wide range of the wire length L, unifying both the ballistic and diffusive transport regimes. The microscopic model, involving the interaction of electrons with each other and with bulk acoustical phonons allows a reduction of the quantum kinetic equation to a set of coupled equations for the local chemical potentials for forward- and backward-moving electrons in the wires. As an application of the general solution of these equations, we consider different kinds of electrical contacts to the double-wire system and calculate the direct resistance, the transresistance, in the presence of tunneling and Coulomb drag, and the tunneling resistance. If L is smaller than the backscattering length l_P, both the tunneling and the drag lead to a negative transresistance, while in the diffusive regime (L >>l_P) the tunneling opposes the drag and leads to a positive transresistance. If L is smaller than the phase-breaking length, the tunneling leads to interference oscillations of the resistances that are damped exponentially with L.Comment: Text 14 pages in Latex/Revtex format, 4 Postscript figure

MiOXSYS andOxiSperm II assays appear to provide no clinical utility for determining oxidative stress in human sperm—results from repeated semen collections

OnlinePublBackground: Oxidative stress in semen contributes up to 80% of all infertility diagnosis. Diagnostics to measure oxidative stress in semen was recently added to the 6th edition WHO methods manual, although diagnostic predictive values need to be interpreted with caution as there are still several research questions yet to be answered. Objectives: To determine the natural fluctuations in semen redox indicators (MiOXSYS® and OxiSperm® II) within and between men and their association with markers of sperm oxidative stress. Materials and methods: Total, 118 repeat semen samples from 31 generally healthy men aged 18–45 years, over 6 months. Standard semen analysis as per 5th WHO manual. Semen redox levels measured via MiOXSYS® and OxiSperm® II. Additional attributes of sperm quality; HBA® binding assay and sperm hyperactivation and oxidative stress; DNA fragmentation (Halo® Sperm) and lipid peroxidation (BODIPY™ 581/591 C11) were assessed. Results: Samples with high redox-potential (MiOXSYS® ≥1.47 sORP/10⁶ sperm/ml) had lower sperm, motility, morphology and higher DNA fragmentation (P 0.05). Fluctuations in semen redox levels varied greater between men than within men over the study period. Discussion: Neither MiOXSYS® nor OxiSperm® II assays were predictive of sperm function or sperm oxidative stress. This was likely due at least in part to limited understanding of their biochemistry and clinical application. As a result, these assays seem to provide no additional clinical utility beyond that of a standard semen analysis, highlighting the imperative for the development of new robust point-of-care devices for accurately determining sperm oxidative stress. Conclusion: These findings suggest that MiOXSYS® and OxiSperm® II systems for the measurement of sperm oxidative stressmay have limited diagnostic potential.Patience Castleton, Prabin Gyawali, Nicola Mathews, Shadrack Mulinge Mutuku, David James Sharkey, Nicole Olivia McPherso

The nature of teachers' qualitative judgements: A matter of context and salience. Part Two: Out-of-context judgements

This second paper also takes up the issue of how teachers make judgements of primary students' writing. Once again, we examine the evidence base used by two teachers in their judgements, using qualitative techniques for mapping the inter-relationships among the indexes that teachers rely on to formulate judgements. Of special interest in this paper is how the teachers enacted judgements of student writing in the absence of knowledge about the institutional and pedagogical settings in which the writing had been produced, and also without knowledge of the student writer. The authors recommend that readers consider the discussion and findings offered in this paper in conjunction with paper one which precedes it

Oxygen vacancies versus fluorine at CeO2(111): a case of mistaken identity?

We propose a resolution to the puzzle presented by the surface defects observed with STM at the (111) surface facet of CeO2 single crystals. In the seminal paper of Esch et al. [Science 309, 752 (2005)] they were identified with oxygen vacancies, but the observed behavior of these defects is inconsistent with the results of density functional theory (DFT) studies of oxygen vacancies in the literature. We resolve these inconsistencies via DFT calculations of the properties of both oxygen vacancies and fluorine impurities at CeO2(111), the latter having recently been shown to exist in high concentrations in single crystals from a widely used commercial source of such samples. We find that the simulated filled-state STM images of surface-layer oxygen vacancies and fluorine impurities are essentially identical, which would render problematic their experimental distinction by such images alone. However, we find that our theoretical results for the most stable location, mobility, and tendency to cluster, of fluorine impurities are consistent with experimental observations, in contrast to those for oxygen vacancies. Based on these results, we propose that the surface defects observed in STM experiments on CeO2 single crystals reported heretofore were not oxygen vacancies, but fluorine impurities. Since the similarity of the simulated STM images of the two defects is due primarily to the relative energies of the 2p states of oxygen and fluorine ions, this confusion might also occur for other oxides which have been either doped or contaminated with fluorine

Single and Many Particle Correlation Functions and Uniform Phase Bases for Strongly Correlated Systems

The need for suitable many or infinite fermion correlation functions to describe some low dimensional strongly correlated systems is discussed. This is linked to the need for a correlated basis, in which the ground state may be postive definite, and in which single particle correlations may suffice. A particular trial basis is proposed, and applied to a certain quasi-1D model. The model is a strip of the 2D square lattice wrapped around a cylinder, and is related to the ladder geometries, but with periodic instead of open boundary conditions along the edges. Analysis involves a novel mean-field approach and exact diagonalisation. The model has a paramagnetic region and a Nagaoka ferromagnetic region. The proposed basis is well suited to the model, and single particle correlations in it have power law decay for the paramagnet, where the charge motion is qualitatively hard core bosonic. The mean field also leads to a BCS-type model with single particle long range order.Comment: 23 pages, in plain tex, 12 Postscript figures included. Accepted for publication in J.Physics : Condensed Matte

Mode Spectroscopy and Level Coupling in Ballistic Electron Waveguides

A tunable quantum point contact with modes occupied in both transverse directions is studied by magnetotransport experiments. We use conductance quantization of the one-dimensional subbands as a tool to determine the mode spectrum. A magnetic field applied along the direction of the current flow couples the modes. This can be described by an extension of the Darwin-Fock model. Anticrossings are observed as a function of the magnetic field, but not for zero field or perpendicular field directions, indicating coupling of the subbands due to nonparabolicity in the electrical confinement.Comment: 4 pages, 3 figure

Giant Thermoelectric Effect from Transmission Supernodes

We predict an enormous order-dependent quantum enhancement of thermoelectric effects in the vicinity of a higher-order `supernode' in the transmission spectrum of a nanoscale junction. Single-molecule junctions based on 3,3'-biphenyl and polyphenyl ether (PPE) are investigated in detail. The nonequilibrium thermodynamic efficiency and power output of a thermoelectric heat engine based on a 1,3-benzene junction are calculated using many-body theory, and compared to the predictions of the figure-of-merit ZT.Comment: 5 pages, 6 figure

Direct observation of electron doping in La0.7Ce0.3MnO3 using x-ray absorption spectroscopy

We report on a X-ray absorption spectroscopic (XAS) study on a thin film of La0.7Ce0.3MnO3, a manganite which was previously only speculated to be an electron doped system. The measurements clearly show that the cerium is in the Ce(IV) valence state and that the manganese is present in a mixture of Mn2+ and Mn3+ valence states. These data unambiguously demonstrate that La0.7Ce0.3MnO3 is an electron doped colossal magnetoresistive manganite, a finding that may open up new opportunities both for device applications as well as for further basic research towards a better modelling of the colossal magnetoresistance phenomenon in these materials.Comment: 4 pages, 3 figures, revised versio