First-Principles Study of Substitutional Metal Impurities in Graphene: Structural, Electronic and Magnetic Properties

We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special attention to the electronic and magnetic properties of these substitutional impurities and found that they can be fully understood using a simple model based on the hybridization between the states of the metal atom, particularly the d shell, and the defect levels associated with an unreconstructed D3h carbon vacancy. We identify three different regimes associated with the occupation of different carbon-metal hybridized electronic levels: (i) bonding states are completely filled for Sc and Ti, and these impurities are non-magnetic; (ii) the non-bonding d shell is partially occupied for V, Cr and Mn and, correspondingly, these impurties present large and localized spin moments; (iii) antibonding states with increasing carbon character are progressively filled for Co, Ni, the noble metals and Zn. The spin moments of these impurities oscillate between 0 and 1 Bohr magnetons and are increasingly delocalized. The substitutional Zn suffers a Jahn-Teller-like distortion from the C3v symmetry and, as a consequence, has a zero spin moment. Fe occupies a distinct position at the border between regimes (ii) and (iii) and shows a more complex behavior: while is non-magnetic at the level of GGA calculations, its spin moment can be switched on using GGA+U calculations with moderate values of the U parameter.Comment: 13 figures, 4 tables. Submitted to Phys. Rev. B on September 26th, 200

Chemical abundances of stars with brown-dwarf companions

It is well-known that stars with giant planets are on average more metal-rich than stars without giant planets, whereas stars with detected low-mass planets do not need to be metal-rich. With the aim of studying the weak boundary that separates giant planets and brown dwarfs (BDs) and their formation mechanism, we analyze the spectra of a sample of stars with already confirmed BD companions both by radial velocity and astrometry. We employ standard and automatic tools to perform an EW-based analysis and to derive chemical abundances from CORALIE spectra of stars with BD companions. We compare these abundances with those of stars without detected planets and with low-mass and giant-mass planets. We find that stars with BDs do not have metallicities and chemical abundances similar to those of giant-planet hosts but they resemble the composition of stars with low-mass planets. The distribution of mean abundances of $\alpha$-elements and iron peak elements of stars with BDs exhibit a peak at about solar abundance whereas for stars with low-mass and high-mass planets the [X$_\alpha$/H] and [X$_{\rm Fe}$/H] peak abundances remain at $\sim -0.1$~dex and $\sim +0.15$~dex, respectively. We display these element abundances for stars with low-mass and high-mass planets, and BDs versus the minimum mass, $m_C \sin i$, of the most-massive substellar companion in each system, and we find a maximum in $\alpha$-element as well as Fe-peak abundances at $m_C \sin i \sim 1.35\pm 0.20$ jupiter masses. We discuss the implication of these results in the context of the formation scenario of BDs in comparison with that of giant planets.Comment: Accepted for publication in Astronomy & Astrophysic

THROES: a caTalogue of HeRschel Observations of Evolved Stars. I. PACS range spectroscopy

This is the first of a series of papers presenting the THROES (A caTalogue of HeRschel Observations of Evolved Stars) project, intended to provide a comprehensive overview of the spectroscopic results obtained in the far-infrared (55-670 microns) with the Her- schel space observatory on low-to-intermediate mass evolved stars in our Galaxy. Here we introduce the catalogue of interactively reprocessed PACS (Photoconductor Array Camera and Spectrometer) spectra covering the 55-200 microns range for 114 stars in this category for which PACS range spectroscopic data is available in the Herschel Science Archive (HSA). Our sample includes objects spanning a range of evolutionary stages, from the asymptotic giant branch to the planetary nebula phase, displaying a wide variety of chemical and physical properties. The THROES/PACS catalogue is accessible via a dedicated web-based inter- face (https://throes.cab.inta-csic.es/) and includes not only the science-ready Herschel spectroscopic data for each source, but also complementary photometric and spectroscopic data from other infrared observatories, namely IRAS (Infrared Astronomical Satellite), ISO (Infrared Space Observatory) or AKARI, at overlapping wavelengths. Our goal is to create a legacy-value Herschel dataset that can be used by the scientific community in the future to deepen our knowledge and understanding of these latest stages of the evolution of low-to-intermediate mass stars.Comment: 38 page

Cladobotryum mycophilum as Potential Biocontrol Agent

A study was conducted to explore the efficacy of potential biocontrol agent Cladobotryum mycophilum against different phytopathogenic fungi. The growth rates of 24 isolates of C. mycophilum were determined, and their antagonistic activity was analysed in vitro and in vivo against Botrytis cinerea, Fusarium oxysporum f. sp. radicis-lycopersici, Fusarium oxysporum f.sp. cucumerinum, Fusarium solani, Phytophthora parasitica, Phytophthora capsici, Pythium aphanidermatum and Mycosphaerella melonis. Most isolates grow rapidly, reaching the opposite end of the Petri dish within 72–96 h. Under dual-culture assays, C. mycophilum showed antagonistic activity in vitro against all phytopathogenic fungi tested, with mycelial growth inhibition ranging from 30 to 90% against all the different phytopathogens tested. Similarly, of all the selected isolates, CL60A, CL17A and CL18A significantly (p < 0.05) reduced the disease incidence and severity in the plant assays compared to the controls for the different pathosystems studied. Based on these results, we conclude that C. mycophilum can be considered as a potential biological control agent in agriculture. This is the first study of Cladobotryum mycophilum as a biological control agent for different diseases caused by highly relevant phytopathogens in horticultur

Wetland restoration and nitrate reduction: the example of the periurban wetland of Vitoria-Gasteiz (Basque Country, North Spain)

Changes in land use and agricultural intensification caused wetlands on the quaternary aquifer of Vitoria-Gasteiz (Basque Country) to disappear some years ago and nitrate concentration in groundwaters increased very quickly. The Basque Government recently declared the East Sector of this aquifer a Vulnerable Zone according to the 91/676/CEE European Directive. Recently, the wetlands have been restored through the closure of the main drainage ditches, the consequent elevation of the water table and the abondonment of agricultural practices near the wetlands. This is the case of the Zurbano wetland. Restoration has allowed the recovery of its biogeochemical function, which has reduced nitrate concentrations in waters. Nitrate concentrations which exceed 50 mg l–1 in groundwaters entering into the wetland are less than 10 mg l–1 at the outlet. Conditions in the wetland are conducive to the loss of nitrates: organic matter rich wetted soils, clay presence allowing a local semiconfined flow and very low hydraulic gradient. Water quality monitoring at several points around the wetland showed the processes involved in nitrate loss, although some aspects still remain unresolved. However, during storm events, the wetland effectively reduces the nitrate concentration entering the Alegria River, the most important river on the quaternary aquifer