Lattice vibronics of bcc phase metals (Ti,Zr and Hf) at higher temperatures

Ashcroft’s analytic bare ion pseudopotential form factor with a modified Hartree dielectric function has been employed to represent the temperature dependent interionic potential. This potential includes both direct ion-ion interaction and indirect ion-electron-ion interaction with and without the effects of ‘d’ bands, in some scantily studied complexbcc metals vizbcc Ti, Zr and Hf. The ab initio radial and tangential force constants extending out to 15th nearest neighbours are computed for the metals. The said potential is used for predicting the binding energy, elastic constants and phonon dispersion of the above mentioned metals and the results are satisfactorily compared with the corresponding measured data.     

Recent progress in quantitative and high spatial resolution AES

Progress in high resolution Auger electron spectroscopy (HR-AES or scanning Auger microscopy, SAM) during the past few years is characterized by the use of efficient field emission electron sources, parallel detection capabilities and improved data acquisition, storage and processing, thus enhancing spatial resolution (to about 10 nm), signal to noise figure and quantification of elements in different chemical bonding states, e.g. by routinely using factor analysis. Optimized ion sputtering facilities, particularly sample rotation, enable depth profiling with high, depth independent resolution. The basic features of SAM are discussed with respect to EPMA (electron probe micro-analysis), emphasizing fundamental limitations and future developments.     

A FTIR study of PVDF irradiated by means of swift heavy ions

Poly(vinylidene difluoride) (PVDF) films were irradiated by means of heavy ions (in the electronic stopping-power range) and electrons. Both types of ionizing radiation induce in the polymer film ionizations and excitations, but swift heavy ions induce a huge density of excitations and ionizations along the ion path. Dose-range goes from 0.3 to 40 MGy. Irradiations were performed with Kr ions in the presence of helium, hydrogen, deuterium, and oxygen. Fourier transform infrared (FTIR) transmission measurements show differences in the nature of the created defects. Triple bonds are characteristic of the Kr ion irradiation. Double bonds, isolated and conjugated, exist for both kinds of radiation, but concentrations are higher with the Kr radiation. The presence of oxygen during irradiation produces oxidization defects. Typical bands of hydroxyls and carbonyls can be seen, respectively, in the 3800-3000 cm^?1 zone and ca. 1850–1730 cm^?1. The formation of conjugated double bonds is enhanced when the Kr irradiation is performed under an O₂ atmosphere. © 1994 John Wiley & Sons, Inc.     

Photo-induced electron emission from 17beta-estradiol and progesterone and possible biological consequences

It was established for the first time, that the sexual hormones 17beta-estradiol (17betaE2) and progesterone (PRG) are able to emit electrons from their excited single state in water-ethanol mixtures. The yield of the "solvated electrons" (e(s)(-)) depends on the substrate concentration, the ratio of water-alcohol-mixtures and the temperature. The e(s)(-) yield obtained from 17betaE2 is by two orders of magnitude higher than this of PRG. The possible relationship of the resulting hormone transients from 17betaE2 leading via specific metabolites to breast cancer is discussed.     

The runaway effect in a Lorentz gas

The Lorentz gas of charged particles in a constant and uniform electric field is studied. The gas flows through the medium of immobile, randomly distributed scatterers. Particles with velocity v suffer collisions with frequency proportional to ¦v¦ ⁿ . Forn < 0 runaway of the gas is forced by the field: the mean velocity of the flow increases without bounds. By a simple physical argument an integral relation is established between the probability of collisionless motion and the velocity distribution. It is then shown that whenn < –1 a fraction of particles moves as if the scattering centers were absent. The detailed discussion of this uncollided runaway is presented. Some qualitative features of the velocity distribution are illustrated on rigorous solutions in one dimension.     

Prospect of triggering the <Superscript>178m2</Superscript>Hf isomer and the role of resonance conversion

A mechanism of triggering the 12.7keV E3 transition, based on the new decay mode of the 31y isomer via resonance internal conversion and emission of a 1.4keV X-ray quantum, is considered. Actually, this decay mode was observed previously in the decay of 45- and 46-fold ions of ¹²⁵Te . For the purpose of triggering, the atomic radiative vertex has to be induced by resonance radiation. This mechanism makes triggering by an order of magnitude more efficient than triggering a bare nucleus, and is achieved at a lower combination frequency. An experiment is proposed for the direct observation of the new decay mode. This also offers a new way of resonance scattering of these X-rays. Triggering through higher-lying 2573 and 2805keV states is also considered. The results are extended to the general problem of triggering. The main obstacle for enhancing the efficiency is a high internal conversion rate. For this reason, shape isomers with low multipole order --E1 , M1 , and with a high enough energy of triggering transition are of interest for triggering. The partial ionization of the outer electrons will also help. The same recommendations hold for triggering isomers in laser-produced plasma.     

Elastic scattering of electrons by helium atoms in high energy higher order Born approximation

The differential cross-sections forē-helium elastic scattering are calculated by using Yateshigh-energy higher order Born approximations, through 0 (K _i ^{Emphasis>−2} ) of the incident electron momentum, and comparisons have been made with the recent theoretical and experimental results.     

Application of R-matrix method to electron-H<Subscript>2</Subscript>S collisions in the low energy range

Electron-H₂S collision process is studied using the R-matrix method. Nine low-lying states of H₂S molecule are considered in the R-matrix formalism to obtain elastic integral, differential, momentum transfer and excitation cross sections for this scattering system. We have represented our target states using configuration interaction (CI) wavefunctions. We obtained adequate representation of vertical spectrum of the target states included in the scattering calculations. The cross sections are compared with the experiment and other theoretical results. We have obtained good agreement for elastic and momentum transfer cross sections with experiment for entire energy range considered. The differential cross sections are in excellent agreement with experiment in the range 3–15 eV. A prominent feature of this calculation is the detection of a shape resonance in ²B₂ symmetry which decays via dissociative electron attachment (DEA). Born correction is applied for the elastic and dipole allowed transition to account for higher partial waves excluded in the R-matrix calculation. The electron energy range is 0.025–15 eV.     

Low-energy electron scattering from copper

Differential cross sections for the elastic scattering of electrons from the ground states of copper for the configuration 3d¹⁰ 4s and the excitation state ²D with the configuration 3d⁹ 4s² have been calculated. Local density approximations to the exchange and correlation potentials have been used in these calculations, and it is confirmed that Hara exchange coupled with a Hedin-Lundqvist electron-gas-type correlation potential joined to an adiabatic polarization potential gives good predictions for differential cross sections. A comparison of the calculated results with other experimental and theoretical data are presented and discussed.     

Modelling electron-N2 scattering in the resonant region

Quantum calculations of the resonant vibrational excitation of N₂ by electron impact are carried out using a model potential for exchange and correlation-polarization forces and exact static interaction. The inelastic process is treated within a coupled channel, space-frame formulation and final cross-sections are tested for convergence within less than of their values. Comparison with the experiments yields very good agreement with the latter data in the resonance region and suggests possible extension to calculations near the threshold openings for rovibrational inelastic processes induced by electron impact.