The Structure of the [Zn_In - V_P] Defect Complex in Zn Doped InP

We study the structure, the formation and binding energies and the transfer levels of the zinc-phosphorus vacancy complex [Zn_In - V_P] in Zn doped p-type InP, as a function of the charge, using plane wave ab initio DFT-LDA calculations in a 64 atom supercell. We find a binding energy of 0.39 eV for the complex, which is neutral in p-type material, the 0/-1 transfer level lying 0.50 eV above the valence band edge, all in agreement with recent positron annihilation experiments. This indicates that, whilst the formation of phosphorus vacancies (V_P) may be involved in carrier compensation in heavily Zn doped material, the formation of Zn-vacancy complexes is not. Regarding the structure: for charge states Q=+6 to -4 the Zn atom is in an sp^2 bonded DX position and electrons added/removed go to/come from the remaining dangling bonds on the triangle of In atoms. This reduces the effective vacancy volume monatonically as electrons are added to the complex, also in agreement with experiment. The reduction occurs through a combination of increased In-In bonding and increased Zn-In electrostatic attraction. In addition, for certain charge states we find complex Jahn-Teller behaviour in which up to three different structures, (with the In triangle dimerised, antidimerised or symmetric) are stable and are close to degenerate. We are able to predict and successfully explain the structural behaviour of this complex using a simple tight binding model.Comment: 10 pages text (postscript) plus 8 figures (jpeg). Submitted to Phys. Rev.

Lingering Chukchi Sea sea ice and Chukchi Sea mean winds influence population age structure of euphausiids (krill) found in the bowhead whale feeding hotspot near Pt. Barrow, Alaska

© The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Ashjian, C. J., Okkonen, S. R., Campbell, R. G., & Alatalo, P. Lingering Chukchi Sea sea ice and Chukchi Sea mean winds influence population age structure of euphausiids (krill) found in the bowhead whale feeding hotspot near Pt. Barrow, Alaska. Plos One, 16(7), (2021): e0254418, https://doi.org/10.1371/journal.pone.0254418.Interannual variability in euphausiid (krill) abundance and population structure and associations of those measures with environmental drivers were investigated in an 11-year study conducted in late August–early September 2005–2015 in offshelf waters (bottom depth > 40 m) in Barrow Canyon and the Beaufort Sea just downstream of Distributed Biological Observatory site 5 (DBO5) near Pt. Barrow, Alaska. Statistically-significant positive correlations were observed among krill population structure (proportion of juveniles and adults), the volume of Late Season Melt Water (LMW), and late-spring Chukchi Sea sea ice extent. High proportions of juvenile and adult krill were seen in years with larger volumes of LMW and greater spring sea ice extents (2006, 2009, 2012–2014) while the converse, high proportions of furcilia, were seen in years with smaller volumes of LMW and lower spring sea ice extent (2005, 2007, 2010, 2011, 2015). These different life stage, sea ice and water mass regimes represent integrated advective responses to mean fall and/or spring Chukchi Sea winds, driven by prevailing atmospheric pressure distributions in the two sets of years. In years with high proportions of juveniles and adults, late-spring and preceding-fall winds were weak and variable while in years with high proportions of furcilia, late-spring and preceding-fall winds were strong, easterly and consistent. The interaction of krill life history with yearly differences in the northward transports of krill and water masses along with sea ice retreat determines the population structure of late-summer krill populations in the DBO5 region near Pt. Barrow. Years with higher proportions of mature krill may provide larger prey to the Pt. Barrow area bowhead whale prey hotspot. The characteristics of prey near Pt. Barrow is dependent on krill abundance and size, large-scale environmental forcing, and interannual variability in recruitment success of krill in the Bering Sea.This research was supported by the National Science Foundation through grants PLR-1023331 (CJA), OPP-0436131 (CJA), PLR-1022139 (RGC), OPP-0436110 (RGC), PLR-1023446 (SRO), and OPP-043166 (SRO), the National Oceanic and Atmospheric Administration (NOAA) under cooperative agreement NA08OAR4320751 with the University of Alaska (SRO) and cooperative agreements NA17RJ1223 and NA09OAR4320129 with the Woods Hole Oceanographic Institution (CJA), the Bureau of Ocean Energy Management through Interagency Agreement 0106RU39923/M08PG20021 between the National Marine Fisheries Service and MMS/BOEM (CJA, RGC, SRO) and through the National Oceanographic Partnership Program award number N00014-08-1-0311 from the Office of Naval Research to the Woods Hole Oceanographic Institution (CJA, SRO, RGC). Additional support was provided by the Coastal Marine Institute at the University of Alaska (SRO, RGC) and the James M. and Ruth P. Clark Arctic Research Initiative Fund at the Woods Hole Oceanographic Institution (CJA). The participation of the K-12 teachers was supported by the National Science Foundation through the ARMADA program at the University of Rhode Island (2005, 2006) and through the POLARTrec program at the Arctic Research Consortium of the United States (2012)

Passivation of copper in silicon by hydrogen

The structures and energies of model defects consisting of copper and hydrogen in silicon are calculated using the AIMPRO local-spin-density functional method. For isolated copper atoms, the lowest energy location is at the interstitial site with Td symmetry. Substitutional copper atoms are found to adopt a configuration with D2d symmetry. We conclude that the symmetry is lowered from Td due to the Jahn-Teller effect. Interstitial hydrogen atoms are found to bind strongly to substitutional copper atoms with an energy that is more than the difference in formation energy over the interstitial site for Cu. The resulting complex has C2v symmetry in the −2 charge state where the H atom is situated about 1.54 Å away from the Cu atom in a [100] direction. In other charge states the symmetry of the defect is lowered to Cs or C1. A second hydrogen atom can bind to this complex with nearly the same energy as the first. Two structures are found for copper dihydride complexes that have nearly equal energies; one with C2 symmetry, and the other with Cs symmetry. The binding energy for a third hydrogen atom is slightly more than for the first. Calculated electronic levels for the model defects relative to one another are found to be in fair to good agreement with experimental data, except for the copper-dihydride complex. The copper trihydride complex has no deep levels in the bandgap, according to our calculations.Peer reviewe

The ATLAS3D project - XXV: Two-dimensional kinematic analysis of simulated galaxies and the cosmological origin of fast and slow rotators

We present a detailed two-dimensional stellar dynamical analysis of as ample of 44 cosmological hydrodynamical simulations of individual central galaxies with stellar masses of 2 x 1010Msun ∼≤ Mstar ∼≤ 6x 1011Msun. Kinematic maps of the stellar line-of-sight velocity, velocity dispersion, and higher-order Gauss-Hermite moments h3 and h4 are constructed for each central galaxy and for the most massive satellites. The amount of rotation is quantified using the λR-parameter. The velocity, velocity dispersion, h3, and h4 fields of the simulated galaxies show a diversity similar to observed kinematic maps of early-type galaxies in the ATLAS3D survey. This includes fast (regular), slow, and misaligned rotation, hot spheroids with embedded cold disk components as well as galaxies with counter-rotating cores or central depressions in the velocity dispersion. We link the present-day kinematic properties to the individual cosmological formation histories of the galaxies. In general, major galaxy mergers have a significant influence on the rotation properties resulting in both a spin-down as well as a spin-up of the merger remnant. Lower mass galaxies with significant in-situ formation of stars, or with additional gas-rich major mergers - resulting in a spin-up - in their formation history, form elongated fast rotators with a clear anti-correlation of h3 and v/σ. An additional formation path for fast rotators includes gas-poor major mergers leading to a spin-up of the remnants. This formation path does not result in anti-correlated h3 and v/σ. The galaxies most consistent with the rare class of non-rotating round early-type galaxies grow by gas-poor minor mergers alone. In general, more massive galaxies have less in-situ star formation since z ∼ 2, rotate slower and have older stellar populations. (shortened)PostprintPeer reviewe

Welcome to the Twilight Zone: The Mid-Infrared Properties of Poststarburst Galaxies

We investigate the optical and Wide-field Survey Explorer (WISE) colors of "E+A" identified post-starburst galaxies, including a deep analysis on 190 post-starbursts detected in the 2{\mu}m All Sky Survey Extended Source Catalog. The post-starburst galaxies appear in both the optical green valley and the WISE Infrared Transition Zone (IRTZ). Furthermore, we find that post-starbursts occupy a distinct region [3.4]-[4.6] vs. [4.6]-[12] WISE colors, enabling the identification of this class of transitioning galaxies through the use of broad-band photometric criteria alone. We have investigated possible causes for the WISE colors of post-starbursts by constructing a composite spectral energy distribution (SED), finding that mid-infrared (4-12{\mu}m) properties of post-starbursts are consistent with either 11.3{\mu}m polycyclic aromatic hydrocarbon emission, or Thermally Pulsating Asymptotic Giant Branch (TP-AGB) and post-AGB stars. The composite SED of extended post- starburst galaxies with 22{\mu}m emission detected with signal to noise >3 requires a hot dust component to produce their observed rising mid-infrared SED between 12 and 22{\mu}m. The composite SED of WISE 22{\mu}m non-detections (S/N<3), created by stacking 22{\mu}m images, is also flat, requiring a hot dust component. The most likely source of this mid-infrared emission of these E+A galaxies is a buried active galactic nucleus. The inferred upper limit to the Eddington ratios of post-starbursts are 1e-2 to 1e-4, with an average of 1e-3. This suggests that AGNs are not radiatively dominant in these systems. This could mean that including selections able to identify active galactic nuclei as part of a search for transitioning and post-starburst galaxies would create a more complete census of the transition pathways taken as a galaxy quenches its star formation.Comment: 13 pages, 11 figures, accepted for publication in the Astrophysical Journa

Early Spectra of the Gravitational Wave Source GW170817: Evolution of a Neutron Star Merger

On 2017 August 17, Swope Supernova Survey 2017a (SSS17a) was discovered as the optical counterpart of the binary neutron star gravitational wave event GW170817. We report time-series spectroscopy of SSS17a from 11.75 hours until 8.5 days after merger. Over the first hour of observations the ejecta rapidly expanded and cooled. Applying blackbody fits to the spectra, we measure the photosphere cooling from $11,000^{+3400}_{-900}$ K to $9300^{+300}_{-300}$ K, and determine a photospheric velocity of roughly 30% of the speed of light. The spectra of SSS17a begin displaying broad features after 1.46 days, and evolve qualitatively over each subsequent day, with distinct blue (early-time) and red (late-time) components. The late-time component is consistent with theoretical models of r-process-enriched neutron star ejecta, whereas the blue component requires high velocity, lanthanide-free material.Comment: 33 pages, 5 figures, 2 tables, Accepted to Scienc

First-principles calculations of the self-trapped exciton in crystalline NaCl

The atomic and electronic structure of the lowest triplet state of the off-center (C2v symmetry) self-trapped exciton (STE) in crystalline NaCl is calculated using the local-spin-density (LSDA) approximation. In addition, the Franck-Condon broadening of the luminescence peak and the a1g -> b3u absorption peak are calculated and compared to experiment. LSDA accurately predicts transition energies if the initial and final states are both localized or delocalized, but 1 eV discrepancies with experiment occur if one state is localized and the other is delocalized.Comment: 4 pages with 4 embeddded figure

Evidence of strong quasar feedback in the early Universe

Most theoretical models invoke quasar driven outflows to quench star formation in massive galaxies, this feedback mechanism is required to account for the population of old and passive galaxies observed in the local universe. The discovery of massive, old and passive galaxies at z=2, implies that such quasar feedback onto the host galaxy must have been at work very early on, close to the reionization epoch. We have observed the [CII]158um transition in SDSSJ114816.64+525150.3 that, at z=6.4189, is one of the most distant quasars known. We detect broad wings of the line tracing a quasar-driven massive outflow. This is the most distant massive outflow ever detected and is likely tracing the long sought quasar feedback, already at work in the early Universe. The outflow is marginally resolved on scales of about 16 kpc, implying that the outflow can really affect the whole galaxy, as required by quasar feedback models. The inferred outflow rate, dM/dt > 3500 Msun/yr, is the highest ever found. At this rate the outflow can clean the gas in the host galaxy, and therefore quench star formation, in a few million years.Comment: 5 pages, 3 figures, accepted for publication in MNRAS Letter