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

Density waves and star formation in grand design spirals

HII regions in the arms of spiral galaxies are indicators of recent star-forming processes. They may have been caused by the passage of the density wave or simply created by other means near the arms. The study of these regions may give us clues to clarifying the controversy over the existence of a triggering scenario, as proposed in the density wave theory. Using H$\alpha$ direct imaging, we characterize the HII regions from a sample of three grand design galaxies: NGC5457, NGC628 and NGC6946. Broad band images in R and I were used to determine the position of the arms. The HII regions found to be associated with arms were selected for the study. The age and the star formation rate of these HII regions was obtained using measures on the H$\alpha$ line. The distance between the current position of the selected HII regions and the position they would have if they had been created in the centre of the arm is calculated. A parameter, T, which measures whether a region was created in the arm or in the disc, is defined. With the help of the T parameter we determine that the majority of regions were formed some time after the passage of the density wave, with the regions located `behind the arm' (in the direction of the rotation of the galaxy) the zone they should have occupied had they been formed in the centre of the arm. The presence of the large number of regions created after the passage of the arm may be explained by the effect of the density wave, which helps to create the star-forming regions after its passage. There is clear evidence of triggering for NGC5457 and a co-rotation radius is proposed. A more modest triggering seems to exist for NGC628 and non significant evidence of triggering are found for NGC6946.Comment: 10 pages, 20 figures, accepted for publication in A&

Crossover between distinct mechanisms of microwave photoresistance in bilayer systems

We report on temperature-dependent magnetoresistance measurements in balanced double quantum wells exposed to microwave irradiation for various frequencies. We have found that the resistance oscillations are described by the microwave-induced modification of electron distribution function limited by inelastic scattering (inelastic mechanism), up to a temperature of T*~4 K. With increasing temperature, a strong deviation of the oscillation amplitudes from the behavior predicted by this mechanism is observed, presumably indicating a crossover to another mechanism of microwave photoresistance, with similar frequency dependence. Our analysis shows that this deviation cannot be fully understood in terms of contribution from the mechanisms discussed in theory.Comment: 7 pages, 4 figure

Electron transport through antidot superlattices in Si/SiGeSi/SiGe heterostructures: new magnetoresistance resonances in lattices with large diameter antidots

In the present work we have investigated the transport properties in a number of Si/SiGe samples with square antidot lattices of different periods. In samples with lattice periods equal to 700 nm and 850 nm we have observed the conventional low-field commensurability magnetoresistance peaks consistent with the previous observations in GaAs/AlGaAs and Si/SiGe samples with antidot lattices. In samples with a 600 nm lattice period a new series of well-developed magnetoresistance oscillations has been found beyond the last commensurability peak which are supposed to originate from periodic skipping orbits encircling an antidot with a particular number of bounds.Comment: To appear in EuroPhys. Let

Magnetic field induced transition in a wide parabolic well superimposed with superlattice

We study a $Al_{x}Ga_{x-1}As$ parabolic quantum wells (PQW) with $GaAs/Al_{x}Ga_{x-1}As$ square superlattice. The magnetotransport in PQW with intentionally disordered short-period superlattice reveals a surprising transition from electrons distribution over whole parabolic well to independent-layer states with unequal density. The transition occurs in the perpendicular magnetic field at Landau filling factor $\nu\approx3$ and is signaled by the appearance of the strong and developing fractional quantum Hall (FQH) states and by the enhanced slope of the Hall resistance. We attribute the transition to the possible electron localization in the x-y plane inside the lateral wells, and formation of the FQH states in the central well of the superlattice, driven by electron-electron interaction.Comment: 5 pages, 4 figure

XMM-Newton and Deep Optical Observations of the OTELO fields: the Groth-Westphal Strip

OTELO (OSIRIS Tunable Emission Line Object Survey) will be carried out with the OSIRIS instrument at the 10 m GTC telescope at La Palma, and is aimed to be the deepest and richest survey of emission line objects to date. The deep narrow-band optical data from OSIRIS will be complemented by means of additional observations that include: (i) an exploratory broad-band survey that is already being carried out in the optical domain, (ii) FIR and sub-mm observations to be carried with the Herschel space telescope and the GTM, and (iii) deep X-Ray observations from XMM-Newton and Chandra.Here we present a preliminary analysis of public EPIC data of one of the OTELO targets,the Groth-Westphal strip, gathered from the XMM-Newton Science Archive (XSA). EPIC images are combined with optical BVRI data from our broadband survey carried out with the 4.2m WHT at La Palma. Distance-independent diagnostics (involving X/O ratio, hardness ratios, B/T ratio) are tested.Comment: 2 pages, 2 figures, uses graphicx package. To appear in proceedings of "The X-Ray Universe 2005", San Lorenzo del Escorial, Spain, September 26-30, 200