Electronic properties of graphene grain boundaries

Grain boundaries and defect lines in graphene are intensively studied for their novel electronic and magnetic properties. However, there is not a complete comprehension of the appearance of localized states along these defects. Graphene grain boundaries are herein seen as the outcome of matching two semi-infinite graphene sheets with different edges. We classify the energy spectra of grain boundaries into three different types, directly related to the combination of the four basic classes of spectra of graphene edges. From the specific geometry of the grains, we are able to obtain the band structure and the number of localized states close to the Fermi energy. This provides a new understanding of states localized at grain boundaries, showing that they are derived from the edge states of graphene. Such knowledge is crucial for the ultimate tailoring of electronic and optoelectronic applications.

Acoustic plasmons in extrinsic free-standing graphene

An acoustic plasmon is predicted to occur, in addition to the conventional two-dimensional (2D) plasmon, as the collective motion of a system of two types of electronic carriers coexisting in the same 2D band of extrinsic (doped or gated) graphene. The origin of this novel mode stems from the anisotropy present in the graphene band structure near the Dirac points K and K'. This anisotropy allows for the coexistence of carriers moving with two distinct Fermi velocities along the Gamma K and Gamma K' directions, which leads to two modes of collective oscillation: one mode in which the two types of carriers oscillate in phase with one another (this is the conventional 2D graphene plasmon, which at long wavelengths (q -> 0) has the same dispersion, q(1/2), as the conventional 2D plasmon of a 2D free electron gas), and the other mode found here corresponds to a low-frequency acoustic oscillation (whose energy exhibits at long-wavelengths a linear dependence on the 2D wavenumber q) in which the two types of carriers oscillate out of phase. This prediction represents a realization of acoustic

Giant diamagnetism of gold nanorods

The presence of giant diamagnetism in Au nanorods, NRs, is shown to be a possible consequence of field induced currents in the surface electrons. The distance, Delta , between quantum surface energy levels has been calculated as a function of the NRs radius. Note that those electrons occupying states for which Delta > k(B)T are steadily orbiting with constant orbital moment. The diamagnetic response induced when a field is turned on remains constant during the time the field is acting. As the NRs radius increases, Delta decreases and accordingly the electron fraction available to generate constant currents decreases, consequently the surface diamagnetic susceptibility decreases towards its bulk value. The surface electronic motion induced by the axial applied field on electrons confined into a cylindrical surface accounts with extremely good quantitative agreement for the giant diamagnetism recently measured and reported.

Relativistic force between fast electrons and planar targets

The full retarded electromagnetic force experienced by swift electrons moving parallel to planar boundaries is revisited, for both metallic and dielectric targets, with special emphasis on the consequences in electron microscopy experiments. The focus is placed on the sign of the transverse force experienced by the electron beam as a function of the impact parameter. For point probes, the force is found to be always attractive. The contribution of the induced magnetic field and the causality requirements of the target dielectric response, given by the Kramers-Kronig (K-K) relations, prove to be crucial issues at small impact parameters. For spatially extended probes, repulsive forces are predicted for close trajectories, in agreement with previous works. The force experienced by the target is also explored, with the finding that in insulators, the momentum associated to Cherenkov radiation (CR) is relevant at large impact parameters.

Quantum ricochets: surface capture, release and energy loss of fast ions hitting a polar surface at grazing incidence

A diffraction mechanism is proposed for the capture, multiple bouncing and final escape of a fast ion (keV) impinging on the surface of a polarizable material at grazing incidence. Capture and escape are effected by elastic quantum diffraction consisting of the exchange of a parallel surface wave vector G= 2p/ a between the ion parallel momentum and the surface periodic potential of period a. Diffraction- assisted capture becomes possible for glancing angles F smaller than a critical value given by Fc 2- 2./ a-| Vim|/ E, where E is the kinetic energy of the ion,. = h/ Mv its de Broglie wavelength and Vim its average electronic image potential at the distance from the surface where diffraction takes place. For F< Fc, the ion can fall into a selected capture state in the quasi- continuous spectrum of its image potential and execute one or several ricochets before being released by the time reversed diffraction process. The capture, ricochet and escape are accompanied by a large, periodic energy loss of several tens of eV in the forward motion caused by the coherent emission of a giant number of quanta h. of Fuchs- Kliewer surface phonons characteristic of the polar material. An analytical calculation of the energy loss spectrum, based on the proposed diffraction process and using a model ion-phonon coupling developed earlier (Lucas et al 2013 J. Phys.: Condens. Matter 25 355009), is presented, which fully explains the experimental spectrum of Villette et al (2000 Phys. Rev. Lett. 85 3137) for Ne+ ions ricocheting on a LiF(001) surface.

Microwave absorption properties of permalloy nanodots in the vortex and quasi-uniform magnetization states

When the in-plane bias magnetic field acting on a flat circular magnetic dot is smaller than the saturation field, there are two stable competing magnetization configurations of the dot: the vortex and the quasi-uniform (C-state). We measured microwave absorption properties in an array of non-interacting permalloy dots in the frequency range 1-8 GHz when the in-plane bias magnetic field was varied in the region of the dot magnetization state bi-stability. We found that the microwave absorption properties in the vortex and quasi-uniform stable states are substantially different, so that switching between these states in a fixed bias field can be used for the development of reconfigurable microwave magnetic materials.

Helmholtz Fermi surface harmonics: an efficient approach for treating anisotropic problems involving Fermi surface integrals

We present a new efficient numerical approach for representing anisotropic physical quantities and/or matrix elements defined on the Fermi surface (FS) of metallic materials. The method introduces a set of numerically calculated generalized orthonormal functions which are the solutions of the Helmholtz equation defined on the FS. Noteworthy, many properties of our proposed basis set are also shared by the FS harmonics introduced by Philip B Allen (1976 Phys. Rev. B 13 1416), proposed to be constructed as polynomials of the cartesian components of the electronic velocity. The main motivation of both approaches is identical, to handle anisotropic problems efficiently. However, in our approach the basis set is defined as the eigenfunctions of a differential operator and several desirable properties are introduced by construction. The method is demonstrated to be very robust in handling problems with any crystal structure or topology of the FS, and the periodicity of the reciprocal space is treated as a boundary condition for our Helmholtz equation. We illustrate the method by analysing the free-electron-like lithium (Li), sodium (Na), copper (Cu), lead (Pb), tungsten (W) and magnesium diboride (MgB2)

The effect of low solubility organic acids on the hygroscopicity of sodium halide aerosols

In order to accurately assess the influence of fatty acids on the hygroscopic and other physicochemical properties of sea salt aerosols, hexanoic, octanoic or lauric acid together with sodium halide salts (NaCl, NaBr and NaI) have been chosen to be investigated in this study. The hygroscopic properties of sodium halide sub-micrometre particles covered with organic acids have been examined by Fourier-transform infrared spectroscopy in an aerosol flow cell. Covered particles were generated by flowing atomized sodium halide particles (either dry or aqueous) through a heated oven containing the gaseous acid. The obtained results indicate that gaseous organic acids easily nucleate onto dry and aqueous sodium halide particles. On the other hand, scanning electron microscopy (SEM) images indicate that lauric acid coating on NaCl particles makes them to aggregate in small clusters. The hygroscopic behaviour of covered sodium halide particles in deliquescence mode shows different features with the exchange of the halide ion, whereas the organic surfactant has little effect in NaBr particles, NaCl and NaI covered particles experience appreciable shifts in their deliquescence relative humidities, with different trends observed for each of the acids studied. In efflorescence mode, the overall effect of the organic covering is to retard the loss of water in the particles. It has been observed that the presence of gaseous water in heterogeneously nucleated particles tends to displace the cover of hexanoic acid to energetically stabilize the system.

Aspects of quality control of wind profiler measurements in complex topography

It is well known in the scientific community that some remote sensing instruments assume that sample volumes present homogeneous conditions within a defined meteorological profile. At complex topographic sites and under extreme meteorological conditions, this assumption may be fallible depending on the site, and it is more likely to fail in the lower layers of the atmosphere. This piece of work tests the homogeneity of the wind field over a boundary layer wind profiler radar located in complex terrain on the coast under different meteorological conditions. The results reveal the qualitative importance of being aware of deviations in this homogeneity assumption and evaluate its effect on the final product. Patterns of behavior in data have been identified in order to simplify the analysis of the complex signal registered. The quality information obtained from the homogeneity study under different meteorological conditions provides useful indicators for the best alternatives the system can offer to build wind profiles. Finally, the results are also to be considered in order to integrate them in a quality algorithm implemented at the product level.

Autsajder literacki w niemieckiej i rosyjskiej prozie XIX-XI wieku. Badania narratologiczne

Wydział Neofilologii: Instytut Filologii Germańskiej

WYCHOWANIE I OPIEKA W OKRESIE POLSKI LUDOWEJ

Der vorliegende Aufsatz ist ein Versuch, den Erziehungs- und Fürsorgestand in bezug auf die moderne polnische Gesellschaft festzustellen, wobei in erster Linie diejenigen Umwandlungen berücksichtigt werden, die sich in dieser Hinsicht in der Geschichte der Volksrepublik Polen vollzogen. Der Aufsatz stützt sich auf eine Reihe von Studien und Analysen, die von mehreren Autoren durchgeführt wurden. Die Untersuchungsergebnisse wurden jedoch synthetisch aufgefaßt, ohne auf die einzelnen Feststellungen und Angaben näher einzugehen. Die Hauptthese des vorliegenden Aufsatzes ist, daß das soziale Bewußtsein der polnischen Gesellschaft in den letzten Jahren einen totalen Wandel erfuhr, der sich grundlegend auf ihre Erziehung auswirkte. Dieser Wandel folgte aus den Prozessen, die mit der Funktionierung des Staatssystems sowie deren Ergebnis, d.h. der gesamten sozialen Erfahrung der Menschen zusammenhingen. Es wurde auf die wichtigsten Richtungen dieses Wandels sowie dessen soziopolitische Voraussetzungen hingewiesen.

Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

© 2015 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.A key component in calculations of exchange and correlation energies is the Coulomb operator, which requires the evaluation of two-electron integrals. For localized basis sets, these four-center integrals are most efficiently evaluated with the resolution of identity (RI) technique, which expands basis-function products in an auxiliary basis. In this work we show the practical applicability of a localized RI-variant ('RI-LVL'), which expands products of basis functions only in the subset of those auxiliary basis functions which are located at the same atoms as the basis functions. We demonstrate the accuracy of RI-LVL for Hartree-Fock calculations, for the PBE0 hybrid density functional, as well as for RPA and MP2 perturbation theory. Molecular test sets used include the S22 set of weakly interacting molecules, the G3 test set, as well as the G2-1 and BH76 test sets, and heavy elements including titanium dioxide, copper and gold clusters. Our RI-LVL implementation paves the way for linear-scaling RI-based hybrid functional calculations for large systems and for all-electron many-body perturbation theory with significantly reduced computational and memory cost.