36,748 research outputs found
First principle electronic, structural, elastic, and optical properties of strontium titanate
We report self-consistent ab-initio electronic, structural, elastic, and
optical properties of cubic SrTiO perovskite. Our non-relativistic
calculations employed a generalized gradient approximation (GGA) potential and
the linear combination of atomic orbitals (LCAO) formalism. The distinctive
feature of our computations stem from solving self-consistently the system of
equations describing the GGA, using the Bagayoko-Zhao-Williams (BZW) method.
Our results are in agreement with experimental ones where the later are
available. In particular, our theoretical, indirect band gap of 3.24 eV, at the
experimental lattice constant of 3.91 \AA{}, is in excellent agreement with
experiment. Our predicted, equilibrium lattice constant is 3.92 \AA{}, with a
corresponding indirect band gap of 3.21 eV and bulk modulus of 183 GPa.Comment: 11 pages, 6 figures,Accepted for publication in AIP Advances (2012
Relaxation Scenarios in a Mixture of Large and Small Spheres: Dependence on the Size Disparity
We present a computational investigation on the slow dynamics of a mixture of
large and small soft spheres. By varying the size disparity at a moderate fixed
composition different relaxation scenarios are observed for the small
particles. For small disparity density-density correlators exhibit moderate
stretching. Only small quantitative differences are observed between dynamic
features for large and small particles. On the contrary, large disparity
induces a clear time scale separation between the large and the small
particles. Density-density correlators for the small particles become extremely
stretched, and display logarithmic relaxation by properly tuning the
temperature or the wavevector. Self-correlators decay much faster than
density-density correlators. For very large size disparity, a complete
separation between self- and collective dynamics is observed for the small
particles. Self-correlators decay to zero at temperatures where density-density
correlations are frozen. The dynamic picture obtained by varying the size
disparity resembles features associated to Mode Coupling transition lines of
the types B and A at, respectively, small and very large size disparity. Both
lines might merge, at some intermediate disparity, at a higher-order point, to
which logarithmic relaxation would be associated. This picture resembles
predictions of a recent Mode Coupling Theory for fluids confined in matrixes
with interconnected voids [V. Krakoviack, Phys. Rev. Lett. {\bf 94}, 065703
(2005)].Comment: Journal of Chemical Physics 125, 164507 (2006
Information theory of quantum systems with some hydrogenic applications
The information-theoretic representation of quantum systems, which
complements the familiar energy description of the density-functional and
wave-function-based theories, is here discussed. According to it, the internal
disorder of the quantum-mechanical non-relativistic systems can be quantified
by various single (Fisher information, Shannon entropy) and composite (e.g.
Cramer-Rao, LMC shape and Fisher-Shannon complexity) functionals of the
Schr\"odinger probability density. First, we examine these concepts and its
application to quantum systems with central potentials. Then, we calculate
these measures for hydrogenic systems, emphasizing their predictive power for
various physical phenomena. Finally, some recent open problems are pointed out.Comment: 9 pages, 3 figure
Full two-photon downconversion of just a single photon
We demonstrate, both numerically and analytically, that it is possible to
generate two photons from one and only one photon. We characterize the output
two photon field and make our calculations close to reality by including
losses. Our proposal relies on real or artificial three-level atoms with a
cyclic transition strongly coupled to a one-dimensional waveguide. We show that
close to perfect downconversion with efficiency over 99% is reachable using
state-of-the-art Waveguide QED architectures such as photonic crystals or
superconducting circuits. In particular, we sketch an implementation in circuit
QED, where the three level atom is a transmon
Deceleration of the solar wind in the Earth foreshock region: ISEE 2 and IMP 8 observations
The deceleration of the solar wind in the region of the interplanetary space filled by ions backstreaming from the Earth bow shock was studied using a two spacecraft technique. This deceleration, which is correlated with the "diffuse" but not with the "reflected" ion population, depends on the solar wind bulk velocity: at low velocities (below 300 km/sec) the velocity decrease is about 5 km/sec, while at higher velocities (above 400 km/sec) the decrease may be as large as 30 km/sec. Along with this deceleration, the solar wind undergoes a deflection of about 1 deg away from the direction of the Earth bow shock. The energy balance shows that the kinetic energy loss far exceeds the thermal energy which is possibly gained by the solar wind, therefore, at least part of this energy must go into waves and/or into the backstreaming ions
Scattering of surface plasmons by one-dimensional periodic nanoindented surfaces
In this work, the scattering of surface plasmons by a finite periodic array
of one-dimensional grooves is theoretically analyzed by means of a modal
expansion technique. We have found that the geometrical parameters of the array
can be properly tuned to achieve optimal performance of the structure either as
a Bragg reflector or as a converter of surface plasmons into light. In this
last case, the emitted light is collimated within a few degrees cone.
Importantly, we also show that a small number of indentations in the array are
sufficient to fully achieve its functional capabilities.Comment: 5 pages, 5 figures; changed sign convention in some definition
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