12,382 research outputs found
Surface-induced magnetism in C-doped SnO
The magnetism of C-doped SnO (001) surfaces is studied using
first-principles calculations. It is found that carbon does not induce
magnetism in bulk SnO when located at the oxygen site, but shows a large
magnetic moment at the SnO (001) surface. The magnetic moment is mainly
contributed by the carbon atoms due to empty minority spins of 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 and the dimensionless figure of
merit 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 and . 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
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