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$_{3}$ 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