Surface-induced magnetism in C-doped SnO2_{2}

The magnetism of C-doped SnO$_{2}$ (001) surfaces is studied using first-principles calculations. It is found that carbon does not induce magnetism in bulk SnO$_{2}$ when located at the oxygen site, but shows a large magnetic moment at the SnO$_{2}$ (001) surface. The magnetic moment is mainly contributed by the carbon atoms due to empty minority spins of $p$ orbitals and is localized at the surface and subsurface atoms. No magnetism is observed when the carbon atom is located at the subsurface oxygen sites. The origin of magnetism is discussed in the context of surface bonding.Comment: 3 pages, 3 figure

Further distribution of Gertrudielle validinervis (Herz.) Broth. in the Neotropics

Gertrudiella validinervis (Herz.) Broth. is additionally recorded for the dry forests in northwestern Argentina. Complete distribution in the Neotropics, including northwestern Argentina, are shown on the maps

FILOU oscillation code

The present paper provides a description of the oscillation code FILOU, its main features, type of applications it can be used for, and some representative solutions. The code is actively involved in CoRoT/ESTA exercises (this volume) for the preparation for the proper interpretation of space data from the CoRoT mission. Although CoRoT/ESTA exercises have been limited to the oscillations computations for non-rotating models, the main characteristic of FILOU is, however, the computation of radial and non-radial oscillation frequencies in presence of rotation. In particular, FILOU calculates (in a perturbative approach) adiabatic oscillation frequencies corrected for the effects of rotation (up to the second order in the rotation rate) including near degeneracy effects. Furthermore, FILOU works with either a uniform rotation or a radial differential rotation profile (shellular rotation), feature which makes the code singular in the field.Comment: 6 pages, 5 figures. Astrophysics and Space Science (in press

Non-equilibrium transport response from equilibrium transport theory

We propose a simple scheme that describes accurately essential non-equilibrium effects in nanoscale electronics devices using equilibrium transport theory. The scheme, which is based on the alignment and dealignment of the junction molecular orbitals with the shifted Fermi levels of the electrodes, simplifies drastically the calculation of current-voltage characteristics compared to typical non-equilibrium algorithms. We probe that the scheme captures a number of non-trivial transport phenomena such as the negative differential resistance and rectification effects. It applies to those atomic-scale junctions whose relevant states for transport are spatially placed on the contact atoms or near the electrodes.Comment: 5 pages, 4 figures. Accepted in Physical Review

Giant thermopower and figure of merit in single-molecule devices

We present a study of the thermopower $S$ and the dimensionless figure of merit $ZT$ in molecules sandwiched between gold electrodes. We show that for molecules with side groups, the shape of the transmission coefficient can be dramatically modified by Fano resonances near the Fermi energy, which can be tuned to produce huge increases in $S$ and $ZT$. This shows that molecules exhibiting Fano resonances have a high efficiency of thermoelectric cooling which is not present for conventional un-gated molecules with only delocalized states along their backbone.Comment: 4 pages, 4 figure