Electronic Properties and Magnetic Moment Distribution on Perovskite Type Slabs: Sr2FeMoO6, SrFeO3 and SrMoO3

AbstractPerovskite type slabs were excised from the Sr2FeMoO6, SrFeO3 and SrMoO3 bulk double perovskites, respectively, leaving (001) free surfaces. Supercells were built up for each slab, keeping a 10Å initial free space, to optimize the geometry. Once the minimum energy state was identified, the electronic and magnetic properties of the [001] oriented slabs have been calculated within the Density Functional Theory (DFT) scheme, with the Hubbard-corrected Local Density Approximation (LDA+U) and the CA−PZ functional. Magnetic moment for each atom in the systems was calculated; spin values for the Mo atoms are –0.02ħ, − 0.13ħ and 0.56ħ for the SrMoO3 slab system case and they are aligned antiferromagnetically. Contrarily, Mo magnetic moments in the Sr2FeMoO3 slab system align antiferromagnetically to the corresponding Fe atoms, being around 10% in magnitude; meanwhile, Fe moments increase and align ferromagnetically in SrFeO3. The Densities of States (DOS) and band structures were calculated also to study the electronic behaviors. The vacuum region changes from the initial 10Å, as geometry stabilizes for all the slab cases; however, slab images separation evolves notoriously different for each model

Theory of Raman Scattering by Phonons in Germanium Nanostructures

Within the linear response theory, a local bond-polarization model based on the displacement–displacement Green’s function and the Born potential including central and non-central interatomic forces is used to investigate the Raman response and the phonon band structure of Ge nanostructures. In particular, a supercell model is employed, in which along the [001] direction empty-column pores and nanowires are constructed preserving the crystalline Ge atomic structure. An advantage of this model is the interconnection between Ge nanocrystals in porous Ge and then, all the phonon states are delocalized. The results of both porous Ge and nanowires show a shift of the highest-energy Raman peak toward lower frequencies with respect to the Raman response of bulk crystalline Ge. This fact could be related to the confinement of phonons and is in good agreement with the experimental data. Finally, a detailed discussion of the dynamical matrix is given in the appendix section

A MSFD complementary approach for the assessment of pressures, knowledge and data gaps in Southern European Seas : the PERSEUS experience

PERSEUS project aims to identify the most relevant pressures exerted on the ecosystems of the Southern European Seas (SES), highlighting knowledge and data gaps that endanger the achievement of SES Good Environmental Status (GES) as mandated by the Marine Strategy Framework Directive (MSFD). A complementary approach has been adopted, by a meta-analysis of existing literature on pressure/impact/knowledge gaps summarized in tables related to the MSFD descriptors, discriminating open waters from coastal areas. A comparative assessment of the Initial Assessments (IAs) for five SES countries has been also independently performed. The comparison between meta-analysis results and IAs shows similarities for coastal areas only. Major knowledge gaps have been detected for the biodiversity, marine food web, marine litter and underwater noise descriptors. The meta-analysis also allowed the identification of additional research themes targeting research topics that are requested to the achievement of GES. 2015 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license.peer-reviewe

Painted Goby Larvae under high-CO2 fail to recognize reef sounds

Atmospheric CO2 levels have been increasing at an unprecedented rate due to anthropogenic activity. Consequently, ocean pCO2 is increasing and pH decreasing, affecting marine life, including fish. For many coastal marine fishes, selection of the adult habitat occurs at the end of the pelagic larval phase. Fish larvae use a range of sensory cues, including sound, for locating settlement habitat. This study tested the effect of elevated CO2 on the ability of settlement-stage temperate fish to use auditory cues from adult coastal reef habitats. Wild late larval stages of painted goby (Pomatoschistus pictus) were exposed to control pCO2 (532 μatm, pH 8.06) and high pCO2 (1503 μatm, pH 7.66) conditions, likely to occur in nearshore regions subjected to upwelling events by the end of the century, and tested in an auditory choice chamber for their preference or avoidance to nighttime reef recordings. Fish reared in control pCO2 conditions discriminated reef soundscapes and were attracted by reef recordings. This behaviour changed in fish reared in the high CO2 conditions, with settlement-stage larvae strongly avoiding reef recordings. This study provides evidence that ocean acidification might affect the auditory responses of larval stages of temperate reef fish species, with potentially significant impacts on their survival.Fundação para a Ciência e a Tecnologia (FCT)info:eu-repo/semantics/publishedVersio

Calcifying pteropod time series provides a baseline against which to measure local environmental change

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Brazilian Journal of Physics Hydrogenated Ge Nanocrystals: Band Gap Evolution with Increasing Size

The electronic band structure of various Ge quantum wires of different sizes, with hydrogenated surfaces, is studied using a nearest-neighbor empirical tight-binding Hamiltonian by means of a sp 3 s* atomic orbitals basis set. We suppose that the nanostructures have the same lattice structure and the same interatomic distance as in bulk Ge and that all the dangling bonds are saturated with hydrogen atoms. These atoms are used to simulate the bonds at the surface of the wire and sweep surface states out of the fundamental gaps. One of the most important features is a clear broadening of the band gap due the quantum confinement. Comparing to experimental data, we conclude that, similar to the case of Si, the size dependent PL in the near infrared may involve a trap in the gap of the nanocrystals

Orientation of fish larvae in situ is consistent among locations, years and methods, but varies with time of day

Understanding larval dispersal requires knowledge of whether larvae in situ have orientated swimming, and how this varies temporally and spatially. Orientation of >300 settlement-stage larvae of Chromis atripectoralis (Pomacentridae) measured over 1998-2008 by divers near Lizard Island, Great Barrier Reef was consistent. All 10 data sets had southerly orientation at all locations; 94% of larvae swam directionally. Median bearings east and west of Lizard Island were 166 degrees and 170 degrees, respectively. Orientation precision was significantly higher under sunny than cloudy skies. Similar mean bearings were obtained in 2008 with more than 125 larvae observed in a drifting in situ chamber (DISC). Orientation varied with time of day. In sunny conditions, precision was weakly, significantly correlated with time of day, but not solar elevation; however, a greater proportion of larvae was significantly directional at low (50 degrees) solar elevation. Mean bearing and time of day were weakly, but significantly correlated. Bearings changed from SE during most of the day to SSW in the late afternoon, with distribution of bearings significantly different. Location-independent but diurnally-dependent orientation implies that larvae used celestial cues for orientation. Of 91 Pomacentrus lepidogenys larvae that were followed by divers, 89% swam directionally, but orientation differed among locations and years. DISC results with 20 larvae were similar. The similarity of orientation returned by different methods used on 2 fish species corroborates previous results using diver following. Both methods are useful for the study of larval-fish orientation in situ: each has advantages and limitations, and their use is complementary