X-ray diffraction data in heavy-atom compounds may be sensitive to anharmonic atomic displacements, since the large core electron densities result in appreciable scattering amplitudes at large reciprocal distances. Since bonding electron densities may also exhibit sharp features affecting high-order reflections, they may be difficult to distinguish from anharmonic effects. We have analyzed an a...

Photon-induced near-field electron microscopy (PINEM) enables the visualization of the plasmon fields of nanoparticles via measurement of photon-electron interaction [S. T. Park et al., New J. Phys. 12, 123028 (2010)]. In this paper, the field integral, which is a mechanical work performed on a fast electron by the total electric field, plays a key role in understanding the interaction. Here, w...

Electrical charge-trapping characteristics have been studied in thermal oxides that were implanted with Si, experimentally using electron spin resonance (ESR), capacitance versus voltage (CV) measurements, transmission electron microscopy (TEM), atomic force microscopy (AFM), and theoretically with Density Functional Theory (DFT) using plane waves. Our study examines possible defect structures ...

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In the interaction of a 30 fs, 40 TW Ti:sapphire Hercules laser focused to the intensity of 1019 W/cm2onto a supersonic He gas jet, we observed quasi-monoenergetic electron beams with energy up to 300 MeV and an angular divergence of 10 mrad. We found that the initial plasma density significantly affects the resultant electron beam. For plasma densities ranging between 2×1019 to 3.5×1019 cm−3, ...

Features of the electron density in MgB(2) reconstructed from room-temperature single-crystal X-ray diffraction intensities using a multipole model are considered. Topological analysis of the total electron density has been applied to characterize the atomic interactions in magnesium diboride. The shared-type B-B interaction in the B-atom layer reveals that both sigma and pi components of the b...

The projector augmented wave (PAW) methodology has been used to calculate a high precision electron density distribution ρ(r) for the hexachlorobenzene crystal phase. Implementing the calculation of the crystallographic structure factors in the VASP code has permitted one to obtain the theoretical multipolar ρ(r). This electron density is compared with both the DFT electron density and the expe...

We predict a quantum phase transition in fcc Ca under hydrostatic pressure. Using density functional theory, we find, at pressures below 80 kbar, the topology of the electron charge density is characterized by nearest neighbor atoms connected through bifurcated bond paths and deep minima in the octahedral holes. At pressures above 80 kbar, the atoms bond through non-nuclear maxima that form in ...

We introduce a path-integral approach that allows to compute charge density oscillations in a Luttinger liquid with impurities. We obtain an explicit expression for the envelope of Friedel oscillations in the presence of arbitrary electron-electron potentials. As examples, in order to illustrate the procedure, we show how to use our formula for contact and Coulomb potentials. Pacs: 05.30.Fk, 71...

Spectral line profiles, broadened mostly by Stark effects from electric fields produced by charge particles, and dielectronic satellite line intensities have recently been used for determining electron densities in the dense region of lasercreated plasmas [1-3]. We present here a direct comparison of electron density measurements in the conduction region of laser created plasmas on a plane targ...