Magnetism of Covalently Functionalized Carbon Nanotubes

We investigate the electronic structure of carbon nanotubes functionalized by adsorbates anchored with single C-C covalent bonds. We find that, despite the particular adsorbate, a spin moment with a universal value of 1.0 $\mu_B$ per molecule is induced at low coverage. Therefore, we propose a mechanism of bonding-induced magnetism at the carbon surface. The adsorption of a single molecule creates a dispersionless defect state at the Fermi energy, which is mainly localized in the carbon wall and presents a small contribution from the adsorbate. This universal spin moment is fairly independent of the coverage as long as all the molecules occupy the same graphenic sublattice. The magnetic coupling between adsorbates is also studied and reveals a key dependence on the graphenic sublattice adsorption site.Comment: final version, improved discussion about calculations and defect concentratio

Magnetism of Substitutional Co Impurities in Graphene: Realization of Single π\pi-Vacancies

We report {\it ab initio} calculations of the structural, electronic and magnetic properties of a graphene monolayer substitutionally doped with Co (Co$_{sub}$) atoms. We focus in Co because among traditional ferromagnetic elements (Fe, Co and Ni), only Co$_{sub}$ atoms induce spin-polarization in graphene. Our results show the complex magnetism of Co substitutional impurites in graphene, which is mapped into simple models such as the $\pi$-vacancy and Heisenberg model. The links established in our work can be used to bring into contact the engineering of nanostructures with the results of $\pi$-models in defective graphene. In principle, the structures considered here can be fabricated using electron irradiation or Ar$^+$ ion bombardment to create defects and depositing Co at the same time

Double non-equivalent chain structure on vicinal Si(557)-Au surface

We study electronic and topographic properties of the vicinal Si(557)-Au surface using scanning tunneling microscopy and reflection of high energy electron diffraction technique. STM data reveal double wire structures along terraces. Moreover behavior of the voltage dependent STM tip - surface distance is different in different chains. While the one chain shows oscillations of the distance which are sensitive to the sign of the voltage bias, the oscillations in the other chain remain unchanged with respect to the positive/negative biases. This suggests that one wire has metallic character while the other one - semiconducting. The experimental results are supplemented by theoretical calculations within tight binding model suggesting that the observed chains are made of different materials, one is gold and the other one is silicon chain.Comment: 9 pages, 12 figures, accepted for publication in Phys. Rev.

Systematic {\it ab initio} study of the magnetic and electronic properties of all 3d transition metal linear and zigzag nanowires

It is found that all the zigzag chains except the nonmagnetic (NM) Ni and antiferromagnetic (AF) Fe chains which form a twisted two-legger ladder, look like a corner-sharing triangle ribbon, and have a lower total energy than the corresponding linear chains. All the 3d transition metals in both linear and zigzag structures have a stable or metastable ferromagnetic (FM) state. The electronic spin-polarization at the Fermi level in the FM Sc, V, Mn, Fe, Co and Ni linear chains is close to 90% or above. In the zigzag structure, the AF state is more stable than the FM state only in the Cr chain. It is found that the shape anisotropy energy may be comparable to the electronic one and always prefers the axial magnetization in both the linear and zigzag structures. In the zigzag chains, there is also a pronounced shape anisotropy in the plane perpendicular to the chain axis. Remarkably, the axial magnetic anisotropy in the FM Ni linear chain is gigantic, being ~12 meV/atom. Interestingly, there is a spin-reorientation transition in the FM Fe and Co linear chains when the chains are compressed or elongated. Large orbital magnetic moment is found in the FM Fe, Co and Ni linear chains

OSIRIS Software: The Mask Designer Tool

OSIRIS is a Day One instrument that will be available at the 10m GTC telescope which is being built at La Palma observatory in the Canary Islands. This optical instrument is designed to obtain wide-field narrow-band images using tunable filters and to do low-resolution spectroscopy in both long-slit and multislit modes. For the multislit spectroscopy mode, we have developed a software to assist the observers to design focal plane masks. In this paper we describe the characteristics of this Mask Designer tool. We discuss the main design concepts, the functionality and particular features of the software.Comment: 6 figures; accepted for publication in Experimental Astronom

Candidate tidal disruption events from the XMM-Newton Slew Survey

In recent years, giant amplitude X-ray flares have been observed from a handful of non-active galaxies. The most plausible scenario of these unusual phenomena is tidal disruption of a star by a quiescent supermassive black hole at the centre of the galaxy. Comparing the XMM-Newton Slew Survey Source Catalogue with the ROSAT PSPC All-Sky Survey five galaxies have been detected a factor of up to 88 brighter in XMM-Newton with respect to ROSAT PSPC upper limits and presenting a soft X-ray colour. X-ray luminosities of these sources derived from slew observations have been found in the range 10^41-10^44 erg s^-1, fully consistent with the tidal disruption model. This model predicts that during the peak of the outburst, flares reach X-ray luminosities up to 10^45 erg s^-1, which is close to the Eddington luminosity of the black hole, and afterwards a decay of the flux on a time scale of months to years is expected. Multi-wavelength follow-up observations have been performed on these highly variable objects in order to disentangle their nature and to investigate their dynamical evolution. Here we present sources coming from the XMM-Newton Slew Survey that could fit in the paradigm of tidal disruption events. X-ray and optical observations revealed that two of these objects are in full agreement with that scenario and three other sources that, showing signs of optical activity, need further investigation within the transient galactic nuclei phenomena.Comment: 4 pages, 4 figures, A&A accepte

Efficient index handling of multidimensional periodic boundary conditions

An efficient method is described to handle mesh indexes in multidimensional problems like numerical integration of partial differential equations, lattice model simulations, and determination of atomic neighbor lists. By creating an extended mesh, beyond the periodic unit cell, the stride in memory between equivalent pairs of mesh points is independent of their position within the cell. This allows to contract the mesh indexes of all dimensions into a single index, avoiding modulo and other implicit index operations.Comment: 2 pages, 0 figure