Effect of electron and hole doping on the structure of C, Si, and S nanowires

We use ab initio density functional calculations to study the effect of electron and hole doping on the equilibrium geometry and electronic structure of C, Si, and S monatomic wires. Independent of doping, all these nanowires are found to be metallic. In absence of doping, C wires are straight, whereas Si and S wires display a zigzag structure. Besides two preferred bond angles of 60 deg and 120 deg in Si wires, we find an additional metastable bond angle of 90 deg in S wires. The equilibrium geometry and electronic structure of these nanowires is shown to change drastically upon electron and hole doping.Comment: 5 pages including 5 figure

Field and photon enhanced electron emission characteristics of cadmium sulphide field emitters

Field and photon enhanced electron emission characteristics of cadmium sulfide field emitter

Defect chemistry of Ti and Fe impurities and aggregates in Al2O3

We report a theoretical evaluation of the properties of iron and titanium impurities in sapphire (corundum structured α-Al2O3). Calculations using analytical force fields have been performed on the defect structure with the metals present in isolated, co-doped and tri-cluster configurations. Crystal field parameters have been calculated with good agreement to available experimental data. When titanium and iron are present in neighbouring face and edge-sharing orientations, the overlap of the d-orbitals facilitates an intervalence charge transfer (FeIII/TiIII → FeII/TiIV) with an associated optical excitation energy of 1.85 eV and 1.76 eV in the respective configurations. Electronic structure calculations based on density functional theory confirm that FeIII/TiIII is the ground-state configuration for the nearest-neighbour pairs, in contrast to the often considered FeII/TiIV pair. Homonuclear intervalence charge transfer energies between both FeIII/FeII and TiIV/TiIII species have also been calculated, with the energy lying in the infra-red region. Investigation of multiple tri-clusters of iron and titanium identified one stable configuration, TiIII–(TiIV/FeII), with the energy of electron transfer remaining unchanged

Third-dredge-up oxygen in planetary nebulae

The planetary nebulae He 2-436 and Wray 16-423 in the Sagittarius dwarf galaxy appear to result from nearly twin stars, except that third-dredge-up carbon is more abundant in He 2-436. A thorough photoionization-model analysis implies that ratios Ne/O, S/O and Ar/O are significantly smaller in He 2-436, indicative of third-dredge-up oxygen enrichment. The enrichment of oxygen with respect to carbon is (7 +/- 4)%. Excess nitrogen in Wray 16-423 suggests third dredge-up of late CN-cycle products even in these low-mass, intermediate-metallicity stars.Comment: To appear in Astron. Astrophys. Lett. (Latex, 5 pages, 1 postscript figure

Wave-like spread of Ebola Zaire

In the past decade the Zaire strain of Ebola virus (ZEBOV) has emerged repeatedly into human populations in central Africa and caused massive die-offs of gorillas and chimpanzees. We tested the view that emergence events are independent and caused by ZEBOV variants that have been long resident at each locality. Phylogenetic analyses place the earliest known outbreak at Yambuku, Democratic Republic of Congo, very near to the root of the ZEBOV tree, suggesting that viruses causing all other known outbreaks evolved from a Yambuku-like virus after 1976. The tendency for earlier outbreaks to be directly ancestral to later outbreaks suggests that outbreaks are epidemiologically linked and may have occurred at the front of an advancing wave. While the ladder-like phylogenetic structure could also bear the signature of positive selection, our statistical power is too weak to reach a conclusion in this regard. Distances among outbreaks indicate a spread rate of about 50 km per year that remains consistent across spatial scales. Viral evolution is clocklike, and sequences show a high level of small-scale spatial structure. Genetic similarity decays with distance at roughly the same rate at all spatial scales. Our analyses suggest that ZEBOV has recently spread across the region rather than being long persistent at each outbreak locality. Controlling the impact of Ebola on wild apes and human populations may be more feasible than previously recognized

The time resolved measurement of ultrashort THz-band electric fields without an ultrashort probe

The time-resolved detection of ultrashort pulsed THz-band electric field temporal profiles without an ultrashort laser probe is demonstrated. A non-linear interaction between a narrow-bandwidth optical probe and the THz pulse transposes the THz spectral intensity and phase information to the optical region, thereby generating an optical pulse whose temporal electric field envelope replicates the temporal profile of the real THz electric field. This optical envelope is characterised via an autocorrelation based FROG measurement, hence revealing the THz temporal profile. The combination of a narrow-bandwidth, long duration, optical probe and self-referenced FROG makes the technique inherently immune to timing jitter between the optical probe and THz pulse, and may find particular application where the THz field is not initially generated via ultrashort laser methods, such as the measurement of longitudinal electron bunch profiles in particle accelerators.Comment: 7 pages, 3 figures, submitted to AP

Satellite detection of phytoplankton export from the mid-Atlantic Bight during the 1979 spring bloom

Analysis of Coastal Zone Color Scanner (CZCS) imagery confirms shipboard and in situ moored fluorometer observations of resuspension of near-bottom chlorophyll within surface waters (1 to 10 m) by northwesterly wind events in the mid-Atlantic Bight. As much as 8 to 16 micrograms chl/l are found during these wind events from March to May, with a seasonal increase of algal biomass until onset of stratification of the water column. Rapid sinking or downwelling apparently occurs after subsequent wind events, however, such that the predominant surface chlorophyll pattern is approx. 0.5 to 1.5 micrograms/l over the continental shelf during most of the spring bloom. Perhaps half of the chlorophyll increase observed by satellite during a wind resuspension event represents in-situ production during the 4 to 5 day interval, with the remainder attributed to accumulation of algal biomass previously produced and temporarily stored within near-bottom water. Present calculations suggest that about 10% of the primary production of the spring bloom may be exported as ungrazed phytoplankton carbon from mid-Atlantic shelf waters to those of the continental slope

Detection of deuterium Balmer lines in the Orion Nebula

The detection and first identification of the deuterium Balmer emission lines, D-alpha and D-beta, in the core of the Orion Nebula is reported. Observations were conducted at the 3.6m Canada-France-Hawaii Telescope, using the Echelle spectrograph Gecko. These lines are very narrow and have identical 11 km/s velocity shifts with respect to H-alpha and H-beta. They are probably excited by UV continuum fluorescence from the Lyman (DI) lines and arise from the interface between the HII region and the molecular cloud.Comment: 4 pages, latex, 1 figure, 1 table, accepted for publication in Astronomy & Astrophysics, Letter

Collision of High Frequency Plane Gravitational and Electromagnetic Waves

We study the head-on collision of linearly polarized, high frequency plane gravitational waves and their electromagnetic counterparts in the Einstein-Maxwell theory. The post-collision space-times are obtained by solving the vacuum Einstein-Maxwell field equations in the geometrical optics approximation. The head-on collisions of all possible pairs of these systems of waves is described and the results are then generalised to non-linearly polarized waves which exhibit the maximum two degrees of freedom of polarization.Comment: Latex file, 17 pages, accepted for publication in International Journal of Modern Physics

Overcoming the false-minima problem in direct methods: Structure determination of the packaging enzyme P4 from bacteriophage φ13

The problems encountered during the phasing and structure determination of the packaging enzyme P4 from bacteriophage φ13 using the anomalous signal from selenium in a single-wavelength anomalous dispersion experiment (SAD) are described. The oligomeric state of P4 in the virus is a hexamer (with sixfold rotational symmetry) and it crystallizes in space group C2, with four hexamers in the crystallographic asymmetric unit. Current state-of-the-art ab initio phasing software yielded solutions consisting of 96 atoms arranged as sixfold symmetric clusters of Se atoms. However, although these solutions showed high correlation coefficients indicative that the substructure had been solved, the resulting phases produced uninterpretable electron-density maps. Only after further analysis were correct solutions found (also of 96 atoms), leading to the eventual identification of the positions of 120 Se atoms. Here, it is demonstrated how the difficulties in finding a correct phase solution arise from an intricate false-minima problem. © 2005 International Union of Crystallography - all rights reserved