Electron impact cross sections of vibrationally and electronically excited molecules

It is well known that the electron impact cross sections for elastic and inelastic processes for the vibrationally and electronically excited molecules are predominantly different than those for molecules in the ground state. Collisions of low energy electrons with excited molecules play an important role in explaining the behavior of gas discharges in laser and plasma physics, in planetary atmospheres, stars, and interstellar medium and in plasmas widely used in the fabrication of microelectronics. This explains as to why there is a need for having validated sets of electron impact cross sections for different processes. This work reviews the subject of electron collisions with vibrationally and electronically excited molecules in a comprehensive way. The survey has been carried out for a few excited molecules such as H₂, D₂, T₂, HD, HT, DT, N₂, O₂, and CO₂.     

The photoelectron spectra of some gaseous thallium(I) oxyanion salts

The HeI photoelectron spectra of the gaseous forms of TlBO₂, TlNO₃, Tl₂SO₄, and TlReO₄ have been obtained using a cylindrical mirror electron spectrometer equipped with an internally-located, resistance-heated sample oven. The spectral peaks due to Tl 6s electrons and those due to the oxyanions have been assigned molecular-orbital origins by use of MO calculations, comparisons with X-ray photoelectron and X-ray emission data, electron diffraction experiments, and mass spectrometric information.     

Total absorption and the energy dependence of the partial oscillator strengths for “photoionization” of the valence orbitals of H2O using an electron-electron coincidence method

Partial oscillator strengths (β dependent), from threshold to 49 eV, for the ionisation of 1b₁, 2a₁, 1b₂, 1a₁ electrons from the valence shell of water vapour have been determined using fast (3.5 keV) electron impact with coincidence detection of the scattered and ejected electrons. The total oscillator strength (photoabsorption) was determined from the forward scattered electron intensity and placed on an absolute basis by normalisation to a total f value of 8 for the valence shell.     

Electron spectroscopy using excited atoms and photons: II. Penning ionization of diatomic molecules

A high resolution electrostatic electron analyser has been used to study Penning ionization electron spectra of H₂, HD, D₂, N₂, CO, NO and O₂ using helium metastable atoms (2¹S, 2³S). Results for H₂, N₂ and CO are in good agreement with other work. New data are presented for HD, D₂, NO and O₂. The Penning electron spectra are also compared to the 584 Å photoelectron spectra obtained in the same apparatus. The relative vibrational intensifies for the given electronic bands indicate that in most cases Franck—Condon factors for Penning ionization and photoionization are very similar. However for the O₂⁺(X²Π_g) band, the (2³S) Penning electron and photoelectron spectra show significant differences in the Franck—Condon envelopes This perturbation of the envelope for the Penning ionization may be explained by a competing autoionization process. The relative electronic transition probabilities are in many cases found to be different for Penning ionization and photoionization.     

Dissymmetrization in X-irradiated RbTiOPO4 crystal

Electron paramagnetic resonance has been used to study the hole and electron paramagnetic centers formed in X-irradiated RbTiOPO₄, the crystals of the KTP family. X-irradiation of RbTiOPO₄ crystals at 77 K produced an oxygen hole center and four different trivalent titanium electron centers I₁, II, III and IV. Theg-tensors, their principal values and axes for the defects were calculated and compared with those for KTiOPO₄ centers. X-irradiation at 300 K produced another two oxygen hole centers and three electron centers I₁, I₂ and II. EPR spectra of the center II revealed dissymmetrization, i.e., irregular distribution of growth defects, between the physically equivalent sites lowering the point group symmetry of the local environment of paramagnetic centers Ti³⁺.     

A semi-empirical formula for total cross sections of electron scattering from diatomic molecules

A fitting formula based on the Born approximation is used to fit the total cross sections for electron scattering by diatomic molecules (CO, N₂, NO, O₂ and HCl) in the intermediate- and high-energy range. By analyzing the fitted parameters and the total cross sections, we found that the internuclear distance of the constituent atoms plays an important role in the e-diatomic molecule collision process. Thus a new semi-empirical formula has been obtained. There is no free parameter in the formula, and the dependence of the total cross sections on the internuclear distance has been reflected clearly. The total cross sections for electron scattering by CO, N₂, NO, O₂ and HCl have been calculated over an incident energy range of 10–4000 eV. The results agree well with other available experimental and calculation data.     

Experimentally derived Auger transition probabilities in X-ray excited Auger electron spectroscopy (XAES)

The capability of Auger transition probabilities experimentally derived from X-ray excited Auger electron spectra in XPS were tested. The relative sensitivity factor (RSF) method has been employed in the quantification by AES (Electron excited Auger electron spectroscopy). However, the difference between experimentally derived RSF and theoretically calculated ones has been found in some reports. One of the great reason of the difference may be caused by the calculated values of the Auger transition yield which has been commonly employed without the consideration of the allotment of coupling scheme in the transition selected in the quantification, for instance, the allotment of each six coupling KL₁L₁, KL₁L₂, KL₁L₃, KL₂L₂, KL₂L₃, and KL₃L₃ in KLL transition. The employment of derived Auger transition probabilities reduce the difference between theoretically calculated RSF and experimentally derived one.     

Spektren und Winkelverteilungen der Photoelektronen von Atomen und Molekülen

The photoelectron energy spectra produced by the impact of 584 Å photons on the gases Kr, H₂, N₂, O₂, CO, NO and several alkanes are reported. The angular distribution of photoelectrons corresponding to the simultaneous formation of specific electronic states of the ion have been measured in the range 30°—130°. A preference for electron ejection in the direction of light propagation is shown in the formation of the electronic ground states of NO⁺ and O ₂ ⁺ . Both involve the ejection of an electron from aπ _g orbital. The onset energies for the various electronic states have been obtained with a resolution of ca. 40 meV. The relative transition probabilities for formation of various electronic states in a given molecular ion, as well as the Franck-Condon factors within specific states have been obtained. Similar experiments with the alkanes (methane, ethane, propane, and n-butane) reveal directly the existence of widely separated electron states (or grouping of states) in the ion, as well as the probability of forming these states. This energy distribution function, of vital importance to the study of the unimolecular decay of ions, could only be inferred previously by use of a questionable assumption.     

Electron impact ionization cross-section of C2, C3, Si2, Si3, SiC,SiC2 and Si2C

Total ionization cross-sections for C₂, C₃, Si₂, Si₃, SiC, SiC₂ and Si₂C molecules have been calculated by electron impact. Spherical complex optical potential formalism has been employed for obtaining the inelastic cross-sections for these molecules. Then by applying complex scattering potential-ionization contribution method, total ionization cross-sections are derived. These cross-sections are calculated in the energy range from ionization threshold to 2?keV. There are no measurements available in the literature to the best of our knowledge with which our results can be compared. The results show a linear relationship between maximum ionization cross-section and square root of the ratio of polarizability to ionization potential, depending on its atomicity. This gives a confirmation for the consistency of the data reported here. Present work is a maiden attempt to find electron impact ionization cross-section for these molecules, except for C₂ and C₃.     

He2+离子和H2,O2分子碰撞过程中电子俘获和靶激发的发射截面

实验结果表明:在He²⁺和H₂,O₂碰撞过程中存在着双电子俘获而产生激发态的过程,同时也存在着单电子俘获而产生激发态的过程。在靶H₂,O₂直接激发过程中,测量到了巴耳末系H_α,H_β,H_γ和OI的发射谱。本文给出随入射离子速度变化的Hel,Hell和H_α,H_β,H_γ,O 关键词：     

Electron beam-adsorbate interactions on silicon surfaces

The interactions which occur between electron beams in the energy range 0.5–2.5 keV, with currents of 0.1–1.0 microA and various adsorbates (H₂, CO, CH₄ and C₂H₄) on silicon surfaces have been investigated. The accumulation of beam induced dissociation products on the surface has been monitored by Auger spectroscopy, and the extent of electron stimulated desorption of neutral molecules has been determined mass spectroscopically. Thermal desorption spectra for various gases have also been obtained in order to compare adsorption behaviour with and without the presence of an electron beam. It is concluded that serious experimental errors may occur when LEED and AES are used in adsorption studies, particularly where comparatively weak binding energies are involved.     

Low-lying normal parity excitations in the 208Pb(p,p')208Pb reaction at Ep = 61.2 MeV

Differential cross sections for the excitation of the 3₁^?, 5₁^?, 5₂^?, 7₁^?, 2₁⁺, 4₁⁺, 6₁⁺ levels in ²⁰⁸Pb by 61.2 MeV protons have been measured. The results of collective-model and microscopic-model calculations are compared with the data. A “realistic” two-body interaction is used in the microscopic calculations. Transition densities obtained from electron scattering data and particle-hole wave functions are both considered. The results obtained using the electron scattering transition densities are quite good and provide an indication that ?_n ≧ ?_p for these excitations. The results obtained using the theoretical transition densities give only qualitative reproduction of the data. Finally, some discrepancies in earlier analyses of ²⁰⁸Pb+p data are resolved.     

Structural Phase Transformations in Al/Pt Bilayer Thin Films during the Solid-State Reaction

A sequence of phases forming during the solid-phase reaction in Al/Pt bilayer thin films has been investigated by in situ electron diffraction. It is shown that the amorphous PtAl₂ phase forms first during the solid-phase reaction initiated by heating. Upon further heating, PtAl₂, Pt₂Al₃, PtAl, and Pt₃Al crystalline phases sequentially form, which is qualitatively consistent with an effective formation heat model. The content of phases forming during the reaction has been quantitatively analyzed and the structural phase transformations have been examined.

     

Electron spectroscopy using excited atoms and photons IX. Penning ionization of CO2, CS2, COS,N2O,H2S,SO2, and NO2

The electron spectra resulting from thermal collisions of He* (predominantly 2³S) metastable atoms with the seven triatomic molecules, CO₂, COS, CS², N₂O H₂S, SO₂ and NO₂, are compared with their respective 584-Å photoelectron spectra using a transmission-corrected electron spectrometer. The normalised relative electronic-state transition probabilities for production of ionic states in Penning ionization and photoionization are reported together with energy shifts (ΔE values) for He*(2³S) Penning ionization. The cross-section for Penning ionization to lower states of NO₂⁺ is extremely low as has been observed in other open shell molecules such as NO and O₂.     

Positrons — an alternative probe to electron scattering

Interaction of positrons with atoms and molecules differs from electron interaction due to the difference in polarity of the charge. This makes positrons an alternative tool to study atomic and molecular structure. Recent measurements of the total cross-sections for positron scattering at low energies on He, Ar, H₂, N₂, C₆H₆, C₆H₁₂, C₆H₇N carried out at Trento University [Karwasz et al., Acta Phys. Pol. 127, 666 (2005)] are discussed and compared to electron scattering results. All measured total cross-sections exhibit an increase with decreasing positron energy in the limit of zero energy; H₂, N₂, Ar, show regions of constant cross-section which are a few eV-wide, characteristic of scattering on a hard-sphere potential. Helium shows two resonant structures much below the positronium formation threshold. They may be attributed to virtual positronium formation. In conclusion, positron scattering is complementary to electron scattering. The total cross-sections do not show Ramsuaer minima but constant values, and new resonances appear.     

Superconductivity and spectroscopy of heterofullerides Rb<Subscript>2</Subscript>MC<Subscript>60</Subscript>, K<Subscript>2</Subscript>MC<Subscript>60</Subscript>, and KM<Subscript>2</Subscript>C<Subscript>60</Subscript> (M = Mg,Be)

A series of new heterofullerides with compositions Rb₂MC₆₀, K₂MC₆₀, and KM₂C₆₀ (M = Mg, Be) have been synthesized. Measurements of the temperature dependences of the magnetic susceptibility in the temperature interval from 4.2 to 300 K reveal a superconducting transition in heterofullerides K₂MgC₆₀, KMg₂C₆₀, K₂BeC₆₀, and Rb₂BeC₆₀ at temperatures T _c = 13–22 K. The electron states with uncompensated spin are studied by the electron paramagnetic resonance technique. The contributions of conduction electrons and localized electrons to the paramagnetic susceptibility are extracted.     

Ion survival probabilities for 3 keV Ar+ scattering from La,Yb, and chemisorbed H2, O2, and H2O on La surfaces

TOF spectra of scattered primary and surface recoiled neutrals and ions for 3 keV Ar⁺ bombardment of clean La and Yb and H₂, O₂, and H₂O saturated La surfaces are presented. The spectra are analyzed in terms of single (SS) and multiple (MS) scattering of the primary ions and surface recoiling (SR) of adsorbate atoms. Measurement of spectra of neutrals + ions and neutrals alone allows determination of scattered ion fractions Y. The Y values for the SS event are high for clean La (37%) and lower for adsorbate covered La (32% for H₂, 13% for O₂, and 8% for H₂O); Yb exhibits a similar behavior, i.e. 16% for clean Yb and 5% for O₂ + H₂O covered Yb. Photon emission accompanying the scattering collision has been observed from clean La and Yb and adsorbate covered La. A preferential inelastic energy loss of 15 ± 3 eV for the SS event has been observed for scattered neutrals as opposed to ions for La and H₂ saturated La at 135°. These results are interpreted within the models for Auger and resonant electronic charge exchange transitions during approach or departure of an ion with a surface and the electron promotions occuring during close atomic encounters where the electron shells are interpenetrating.     

Electrochemical deposition of Bi2Te3-based thin films

The electrochemical reduction processes on stainless-steel substrates from an aqueous electrolyte composed of nitric acid, Bi³⁺, HTeO₂⁺, SbO⁺ and H₂SeO₃ systems were investigated using cyclic voltammetry. The thin films with a stoichiometry of Bi₂Te₃, Bi_0.5Sb_1.5Te₃ and Bi₂Te_2.7Se_0.3 have been prepared by electrochemical deposition at selected potentials. The structure, composition, and morphology of the films were studied by X-ray diffraction (XRD), environmental scanning electron microscopy (ESEM) and electron microprobe analysis (EMPA). The results showed that the films were single phase with the rhombohedral Bi₂Te₃ structure. The morphology and growth orientation of the films were dependent on the deposition potentials.     

III: PROPERTIES OF COMPLEX SYSTEMS

The molecular structures, vibrational frequencies, dissociation energies and electron affinities of the Br₂/Br^? ₂, Br₂O/Br₂O^?, Br₂O₂/Br₂O^? ₂, Br₂O₃/Br₂O^? ₃, and Br₂O₄/Br₂O^? ₄ systems have been investigated using density functional theory (DFT) and hybrid Hartree-Fock/density functional theory. The methods used have been carefully calibrated against a comprehensive tabulation of experimental electron affinities, (Rienstra-Kiracofe, J. C., Tschumper, G. S., Shaefer, H. F., Nandi, S. and Ellison, G. B., 2002, Chem. Rev., 102, 231). Four different types of neutral/anion energetic difference are reported in this work: the adiabatic electron affinity (EA_ad), the zero-point corrected EA_ad (EA_zero), the vertical electron affinity (EA_vert), and the vertical detachment energy (VDE). The basis set used in this work is of double-zeta plus polarization quality with additional s- and p-type diffuse functions, and is denoted as DZP⁺⁺. The BHLYP method does well in reproducing the very limited experimental energetics, while the B3LYP method does well for the few known vibrational frequencies. The final predicted electron affinities with the BHLYP method are 3.41 eV (Br, experiment 3.36 eV), 3.02 eV (Br₂, experiment 2.6 ± 0.2 eV), 3.27 eV (Br₂O), 2.93 eV (Br₂O₂), 3.07 eV (Br₂O₃), and 2.54 eV (Br₂O₄). The global minimum structures for several of the larger dibromine oxides and their anions are unusual. For neutral Br₂O₂ the peroxide structure (BrOOBr) lies lowest, but for the anion a loosely bound C_s symmetry BrO-BrO^? structure lies lowest for the hybrid functionals, while a C₂ symmetry peroxide BrOOBr^? structure lies lowest for the pure functionals. Furthermore, the C₂ structures are found to exhibit an inverse symmetry breaking problem, and should be interpreted with caution. For neutral Br₂O₃, a chain structure Br-O₃-Br lies lowest, while the complex Br···O₃···Br^? lies lowest for the negative ion. For neutral Br₂O₄, a chain structure Br-O₄-Br lies lowest, while the complex BrO^?···BrO₃ lies lowest for the negative ion.     

In situ electron-microscope investigation of phase formation and defects in Bi2Sr2CaCu2Oy single crystals on heating

A strong nonthermal influence of electron irradiation on the formation of new phases and structural defects has been found in an in situ study of structural transformations of Bi₂Sr₂CaCu₂O_y crystals under heating. The stability of the modulated structure and stacking faults with respect to heating by an electron beam and in the absence of irradiation was investigated. Fiz. Tverd. Tela (St. Petersburg) 39, 457–462 (February 1997)