Electron and positron atomic elastic scattering cross sections

A method was developed to calculate the total and differential elastic-scattering cross sections for incident electrons and positrons in the energy range from $\text{0.01}\text{eV}$ to $\text{1}\text{MeV}$ for atoms of Z=1–100. For electrons, hydrogen, helium, nitrogen, oxygen, krypton, and xenon, and for positrons, helium, neon, and argon atoms were considered for comparison with experimental data.First, the variationally optimized atomic static potentials were calculated for each atom by solving the Dirac equations for bound electron states. Second, the Dirac equations for a free electron or positron are solved for an atom using the previously calculated static potential accomplished (in the case of electrons) by “adjusted” Hara's exchange potential for a free-state particle. Additional to the exchange effects, the charge cloud polarization effects are considered applying the correlation-polarization potential of O'Connell and Lane (with correction of Padial and Norcross) for incident electrons, and of Jain for incident positrons.The total, cutoff and differential elastic-scattering cross sections are calculated for incident electrons and positrons with the help of the relativistic partial wave analysis. The solid state effects for scattering in solids are described by means of a muffin-tin model, i.e. the potentials of neighboring atoms are superpositioned in such a way that the resulting potential and its derivative are zero in the middle distance between the atoms. The potential of isolated atom is calculated up to the radius at which the long-range polarization potential becomes a value of −10⁻⁸.     

Electron impact and single photon ionization cross sections of neutral silver clusters

Neutral silver atoms and small clusters Ag _n (n=1...4) were generated by sputtering, i.e. by bombarding a polycrystalline silver surface with Ar⁺ ions of 5 keV. The sputtered particles were ionized by a crossed electron beam and subsequently detected by a quadrupole mass spectrometer. In alternative to the electron impact ionization, the same neutral species were also ionized by single photon absorption from a pulsed VUV laser (photon energy 7.9 eV), and the photoionization cross sections were evaluated from the laser intensity dependence of the measured signals. By in situ combining both ionization mechanisms, absolute values of the ratio σ _e (Ag _n )/σ _e (Ag) between the electron impact ionization cross sections of silver clusters and atoms could be determined for a fixed electron energy of 46 eV. These values can then be used to calibrate previously measured relative ionization functions. By calibrating the results using literature data measured for silver atoms, we present absolute cross sections for electron impact ionization of neutral Ag₂, Ag₃ and Ag₄ as a function of the electron energy between threshold and 125 eV.     

Electron impact excitation cross sections for O II

Generalized oscillator strengths and integrated cross sections from threshold to 1 keV are calculated in the Born approximation for the electron impact excitation of O II .     

Electron impact ionization of atomic hydrogen

The role of Coulomb-correlation in electron impact ionization of atomic hydrogen is investigated. Triple differential cross sections are calculated using the first order multiple scattering theory taking into account the propper asymptotic behaviour of the final state wavefunction. A semi-empirical procedure is outlined to choose the effective charges consistent with several physically required limits. A comparison with recent experimental data is made; the observed agreement strongly suggests the importance of asymptotic Coulomb-correlation in ionization even at high energies. The first order approximation used here for the hydrogen case is easily generalizable for ionization of several electron atoms at not too large scattering angles and not too low incident energies.     

Absolute cross sections for electron impact ionization of Ag2

The previously measured relative cross section function for electron impact ionization (EII) of neutral Ag₂ has now been calibrated quantitatively by combining the electron impact ionization with in situ non resonant two photon ionization (NR2PI). By comparing the NR2PI saturation intensities measured for Ag ₂ ⁺ and Ag⁺ with the corresponding EII intensities, the ratio between the electron impact ionization cross sections (EIICS) of neutral Ag₂ and Ag was determined to be σ_Ag2/σ_Ag=1.53 for an electron energy of 46 eV. This result agrees well with the geometricn ^2/3-rule \((\sigma X_n \sim n^{2/3} )\) commonly proposed for the dependence of the EIICS of clustersX _n on the cluster sizen.     

Electron inelastic-scattering cross sections in liquid water

Electron inelastic-scattering cross-section data for use as input in electron track-structure calculations in liquid water are re-examined and improved. The dielectric-response function used in such cross-sections is estimated on the basis of optical data and other experimental and theoretical information. The mean excitation energy for stopping power is obtained to be 81.8 eV, which is close to the recent experimental value, 79.75±0.5 eV, of Bichsel and Hiraoka. Inelastic-scattering cross sections are evaluated within the first Born approximation. Electron-exchange effects and semi-empirical corrections to account for non-Born effects at low energies are also incorporated.     

Absolute electron-impact total ionization cross sections of chlorofluoromethanes

An experimental study is reported on the electron-impact total ionization cross sections (TICSs) of CCl4, CCl3F, CCl2F2, and CClF3 molecules. The kinetic energy of the colliding electrons was in the 10-85 eV range. TICSs were obtained as the sum of the partial ionization cross sections of all fragment ions, measured and identified in a linear double focusing time-of-flight mass spectrometer. The resulting TICS profiles--as a function of the electron-impact energy--have been compared both with those computed by ab initio and (semi)empirical methods and with the available experimental data. The computational methods used include the binary-encounter-Bethe (BEB) modified to include atoms with principal quantum numbers n> or =3, the Deutsch and M?rk (DM) formalism, and the modified additivity rule (MAR). It is concluded that both modified BEB and DM methods fit the experimental TICS for (CF4), CClF3, CCl2F2, CCl3F, and CCl4 to a high accuracy, in contrast with the poor accord of the MAR method. A discussion on the factors influencing the discrepancies of the fittings is presented.     

Single and double K-shell ionization cross sections of silicon

A four-body classical trajectory Monte Carlo (CTMC) method is applied in the study of single and double ionization cross-sections of the silicon K-shell. The calculations are based on the independent particle model. As projectiles, we consider protons with energies between 0.25 and 4.5 MeV. Our CTMC results are compared with the existing theoretical and experimental data.     

Emission cross sections for fully stripped carbon colliding with atomic hydrogen

In the impact velocity range of 0.2–0.6 a.u. we have measured line emission cross sections in the vuv and visible spectral region for collisions of C⁶⁺ with atomic hydrogen. The electron capture goes predominantly into then=4 shell and to a lesser extent into then=5 shell. For the dominant lines there is a good agreement with the molecular, the extended atomic and the unified atomic-molecular orbital calculations of respectively Green et al. [8], Fritsch and Lin [9], and Kimura and Lin [10]. However for transitions originating from then=5 level the measurements strongly support the molecular orbital calculations. Furthermore there are considerable differences between measured and calculated intensities for the lines of non-dominantly populated high-n states (n=7 and 8) and atomic orbital and UDWA calculations.     

A method to determineL-subshell ionization cross sections for medium and heavy elements

We have developed a method to determineL-subshell ionization cross sections and report here on the first measurements of electron inducedL-subshell cross sections for target elements (29≦Z≦79) at electron bombarding energies between 50≦E ₀≦200 keV. The method involves the detection of characteristic X rays by means of a high resolution flat crystal spectrometer of known reflectivity and is based on the correlation of measured X ray intensities, Auger- and Coster-Kronig yields and radiative transition probabilities with theL-subshell cross section.     

Absolute3 P o triple differential cross sections for electron-helium Wannier threshold ionization

The hyperfine structure sub-levels of the 5s5p³P₁ state of cadmium are populated coherently with a 35 ps light pulse. The coherence is detected in a second excitation step resulting in a modulation of the ionization probability. A third light pulse ionizes the atom. Differences in the H.F.S. of the odd isotopes are used to selectively enhance the ionization of one isotope. In a magnetic field the Zeeman splitting of the hyperfine structure causes an additional modulation. Measurements and a theoretical interpretation are given.     

An elementary method for calculating orientation-averaged fully differential electron-impact ionization cross sections for molecules

Currently there are no reliable theoretical approaches for calculating fully differential cross sections (FDCS) for low-energy electron-impact ionization of large molecules. We have recently introduced the distorted-wave impulse approximation as a first step in developing improved theoretical approaches. One significant obstacle to evaluating improved theoretical approaches which require significant computer resources lies in the fact that the existing experimental data require taking averages over all molecular orientations. To circumvent this problem, it has been proposed to approximate the orientation-average by using an orientation-averaged molecular orbital in the calculation of the FDCS. The theoretical justification and expected range of validity for the approximation is given in this paper. Examples are presented for electron-impact ionization of H(2) and N(2).     

New procedure calculation of K-shell ionization cross sections by proton impact

The database, which relies on different compilations available in the literature and on other experimental values extracted from papers published from 1992 till 2010, is used, within the individual treatment of the elements from beryllium (⁴Be) to uranium (⁹²U), to deduce the empirical cross sections. These experimental data can be presented in a single curve, depending on a scaling law extracted from studies in the most familiar theories of collision (PWBA and BEA). Then, a fourth order polynomial was used to fit very well the existing database of K-shell ionization cross sections by proton. This procedure generates a new set of parameters to calculate empirical cross sections. Following the present procedure, our results are compared with those obtained using the ECPSSR model where a discrepancy is observed in the low-proton energy regime.     

Determination of single photon ionization cross sections for quantitative analysis of complex organic mixtures

Soft single photon ionization (SPI)-time-of-flight mass spectrometry (TOFMS) is well suited for fast and comprehensive analysis of complex organic gas mixtures, which has been demonstrated in various applications. This work describes a calibration scheme for SPI, which enables quantification of a large number of compounds by only calibrating one compound of choice, in this case benzene. Photoionization cross sections of 22 substances were determined and related to the yield of benzene. These substances included six alkanes (pentane, hexane, heptane, octane, nonane, decane), three alkenes (propene, butane, pentene), two alkynes (propyne, butyne), two dienes (butadiene, isoprene), five monoaromatic species (benzene, toluene, xylene, styrene, monochlorobenzene) and NO. The cross sections of organic compounds differ by about one order of magnitude but the photoionization properties of compounds belonging to one compound class are rather similar. Therefore, the scheme can also be used for an approximate quantification of compound classes. This is demonstrated by a fast characterization and pattern recognition of two gasoline samples with different origins (Germany and South Africa) and a diesel sample (Germany). The on-line capability of the technique and the scheme is demonstrated by quantitatively monitoring and comparing the cold engine start of four vehicles: a gasoline passenger car, a diesel van, a motorbike and a two-stroke scooter.     

S K-shell ionization cross sections by protons of 0.8 to 3.0 MeV

Thick targets containing 2, 4, 8 and 50% by weight of S in a Li₂B₄O₇ matrix and pure S have been irradiated by protons in the energy range 0.8 to 3.0 MeV. The S K-shell ionization cross sections have been measured and compared to available theoretical and experimental data.     

Fitting continuum wavefunctions with complex Gaussians: Computation of ionization cross sections

We implement a full nonlinear optimization method to fit continuum states with complex Gaussians. The application to a set of regular scattering Coulomb functions allows us to validate the numerical feasibility, to explore the range of convergence of the approach, and to demonstrate the relative superiority of complex over real Gaussian expansions. We then consider the photoionization of atomic hydrogen, and ionization by electron impact in the first Born approximation, for which the closed form cross sections serve as a solid benchmark. Using the proposed complex Gaussian representation of the continuum combined with a real Gaussian expansion for the initial bound state, all necessary matrix elements within a partial wave approach become analytical. The successful numerical comparison illustrates that the proposed all-Gaussian approach works efficiently for ionization processes of one-center targets.