Density functional simulation of small Fe nanoparticles

We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving pseudopotentials. The accuracy of the method in describing elastic properties and magnetic phase diagrams is tested by comparing benchmark results for different phases of crystalline iron to those obtained by an all-electron method. Our calculations for the bipyramidal Fe_5 cluster qualitatively and quantitatively confirm previous plane-wave results that predicted a non-collinear magnetic structure. For larger bcc-related (Fe_35) and fcc-related (Fe_38, Fe_43, Fe_62) particles, a larger inward relaxation of outer shells has been found in all cases, accompanied by an increase of local magnetic moments on the surface to beyond 3 mu_B.Comment: 15 pages with 6 embedded postscript figures, updated version, submitted to Eur.Phys.J.

Pleomorphic adenoma of the nasal septum : a case report

Polypoid nasal lesions are commonly encountered in clinical practice and all should be examined histologically. The authors report a case of pleomorphic adenoma arising in the nasal septum in salivary-type tissue. The interest of this case is both in the relative rarity of the condition, and also in its being the first such report in local practice.peer-reviewe

Bifurcations in the Lozi map

We study the presence in the Lozi map of a type of abrupt order-to-order and order-to-chaos transitions which are mediated by an attractor made of a continuum of neutrally stable limit cycles, all with the same period.Comment: 17 pages, 12 figure

Ab initio vibrations in nonequilibrium nanowires

We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on equal footing, allowing us to make quantitative predictions for the thermoelectric properties, while for the atomic gold chains we evaluate microscopically the damping of the vibrations, due to the coupling of the chain atoms to the modes in the bulk contacts. Both approaches are based on a combination of density-functional theory, and nonequilibrium Green's functions.Comment: 16 pages, to appear in Progress in Nonequilibrium Green's Functions IV (PNGF4), Eds. M. Bonitz and K. Baltzer, Glasgow, August 200

Kelvin-Helmholtz instability in partially ionized compressible plasmas

The Kelvin-Helmholtz Instability (KHI) has been observed in the solar atmosphere. Ion-neutral collisions may play a relevant role for the growth rate and evolution of the KHI in solar partially ionized plasmas as in, e.g., solar prominences. Here, we investigate the linear phase of the KHI at an interface between two partially ionized magnetized plasmas in the presence of a shear flow. The effects of ion-neutral collisions and compressibility are included in the analysis. We obtain the dispersion relation of the linear modes and perform parametric studies of the unstable solutions. We find that in the incompressible case the KHI is present for any velocity shear regardless the value of the collision frequency. In the compressible case, the domain of instability depends strongly on the plasma parameters, specially the collision frequency and the density contrast. For high collision frequencies and low density contrasts the KHI is present for super-Alfvenic velocity shear only. For high density contrasts the threshold velocity shear can be reduced to sub-Alfvenic values. For the particular case of turbulent plumes in prominences, we conclude that sub-Alfvenic flow velocities can trigger the KHI thanks to the ion-neutral coupling.Comment: Accepted for publication in Ap

Effect of partial ionization on wave propagation in solar magnetic flux tubes

Observations show that waves are ubiquitous in the solar atmosphere and may play an important role for plasma heating. The study of waves in the solar corona is usually based on linear ideal magnetohydrodynamics (MHD) for a fully ionized plasma. However, the plasma in the photosphere and the chromosphere is only partially ionized. Here we investigate theoretically the impact of partial ionization on MHD wave propagation in cylindrical flux tubes in the two-fluid model. We derive the general dispersion relation that takes into account the effects of neutral-ion collisions and the neutral gas pressure. We take the neutral-ion collision frequency as an arbitrary parameter. Particular results for transverse kink modes and slow magnetoacoustic modes are shown. We find that the wave frequencies only depend on the properties of the ionized fluid when the neutral-ion collision frequency is much lower that the wave frequency. For high collision frequencies realistic of the solar atmosphere ions and neutrals behave as a single fluid with an effective density corresponding to the sum of densities of both fluids and an effective sound velocity computed as the average of the sound velocities of ions and neutrals. The MHD wave frequencies are modified accordingly. The neutral gas pressure can be neglected when studying transverse kink waves but it has to be taken into account for a consistent description of slow magnetoacoustic waves. The MHD waves are damped due to neutral-ion collisions. The damping is most efficient when the wave frequency and the collision frequency are of the same order of magnitude. For high collision frequencies slow magnetoacoustic waves are more efficiently damped than transverse kink waves. In addition, we find the presence of cut-offs for certain combinations of parameters that cause the waves to become non-propagating.Comment: Accepted for publication in A&

Linearized force constants method for lattice dynamics in mixed semiconductors

A simple and accurate method of calculating phonon spectra in mixed semiconductors alloys, on the basis of preliminarily (from first principles) relaxed atomic structure, is proposed and tested for (Zn,Be)Se and (Ga,In)As solid solutions. The method uses an observation that the interatomic force constants, calculated ab initio for a number of microscopic configurations in the systems cited, show a clear linear variation of the main (diagonal) values of the interatomic force constants with the corresponding bond length. We formulate simple rules about how to recover the individual 3x3 subblocks of the force constants matrix in their local (bonds-related) coordinate systems and how to transform them into a global (crystal cell-related) coordinate system. Test calculations done for 64-atom supercells representing different concentrations of (Zn,Be)Se and (Ga,In)As show that the phonon frequencies and compositions of eigenvectors are faithfully reproduced in a linearized force constants calculation, as compared to true ab initio calculations.Comment: to appear in the proceedings of the Phonons2007 conference (Paris, July 2007

Recovering hidden Bloch character: Unfolding Electrons, Phonons, and Slabs

For a quantum state, or classical harmonic normal mode, of a system of spatial periodicity "R", Bloch character is encoded in a wavevector "K". One can ask whether this state has partial Bloch character "k" corresponding to a finer scale of periodicity "r". Answering this is called "unfolding." A theorem is proven that yields a mathematically clear prescription for unfolding, by examining translational properties of the state, requiring no "reference states" or basis functions with the finer periodicity (r,k). A question then arises, how should one assign partial Bloch character to a state of a finite system? A slab, finite in one direction, is used as the example. Perpendicular components k_z of the wavevector are not explicitly defined, but may be hidden in the state (and eigenvector |i>.) A prescription for extracting k_z is offered and tested. An idealized silicon (111) surface is used as the example. Slab-unfolding reveals surface-localized states and resonances which were not evident from dispersion curves alone.Comment: 11 pages, 7 figure

Detectors for leptonic CP violation at the neutrino factory

Studies carried out in the framework of the International Design Study for the Neutrino Factory (the IDS-NF) show that the sensitivity to the CP violating phase and the last unknown mixing angle θ13 is maximised when two far detectors optimized to detect the sub-leading νe to νμ oscillation are combined. Several technologies are being discussed for these detectors: magnetised iron calorimeters; giant liquid argon TPCs; and totally active scintillating detectors. The IDS-NF baseline option, a compromise between feasibility, cost, and performance, is documented in the Interim Design Report (IDR) that has recently been completed. It consists of two magnetised iron sampling calorimeters, similar to the existing MINOS detector, but with 10-20 times more mass and improved performance. A detector of mass 100 kton is assumed at the intermediate baseline (between 2500 km and 5000 km) and a 50 kton detector at the long baseline (between 7000 km and 8000 km). The other far-detector options, which have better granularity, may be able to detect additional oscillation channels, thus improving the overall performance of the facility. However, these options are likely to be more expensive and require significant R&D