Atomic, Molecular and Optical Physics Commons^™

Surface Structure Of √3x√3r 30 Cl/Ni(111) Determined Using Low-Temperature Angle-Resolved-Photoemission Extended Fine Structure, Li-Qiong Wang, Z. Hussain, Z. Q. Huang, A. E. Schach Von Wittenau, Dennis W. Lindle, D. A. Shirley

Chemistry and Biochemistry Faculty Research

A surface structural study of the √3 × √3 R30° Cl/Ni(111) adsorbate system was made using low-temperature angle-resolved photoemission extended fine structure. The experiments were performed along two emission directions, [111] and [110], and at two temperatures, 120 and 300 K. The multiple-scattering spherical-wave analysis determined that the Cl atom adsorbs in the fcc threefold hollow site, 1.837(8) Å above the first nickel layer, with a Cl-Ni bond length of 2.332(6) Å, and an approximate 5% contraction between the first and the second nickel layers (the errors in parentheses are statistical standard deviations only).

Formation Of Positronium In E+ + H- Collisions, Jack C. Straton, Richard J. Drachman

Physics Faculty Publications and Presentations

Cross sections for positronium formation by capture from the negative hydrogen ion are given. Orthogonalization corrections to the Coulomb (first-order) Born approximation (CBA) differential and total cross sections are calculated using approximate H- wave functions of both Löwdin [Phys. Rev. 90, 123 (1953)] and Chandrasekhar [Astrophys. J. 100, 176 (1944)]. The present calculation of the CBA cross sections using the post interaction for Löwdin’s wave function (LCBAPS) disagrees with the calculation of Choudhury, Mukherjee, and Sural (CMS) [Phys. Rev. A 33, 2358 (1986)], whereas our results using the prior interaction agree. Thus, where CMS found an order …

Resonant Electron Transfer And K-Shell Excitation Of Lithiumlike Projectiles In Collisions With Molecular Hydrogen, M. Anwar Kamal

Masters Theses

An experimental investigation of resonant transfer and excitation (RTE) for collisions of Mg⁹⁺ (lithiumlike) projectile ions with a molecular hydrogen gas target has been made. The experimental cross sections for projectile K-shell x rays coincident with electron capture in the energy of 33- to 60-MeV are found to be in good agreement with theoretical RTE calculations. The present results confirm the agreement between experiment and theory which has been reported for RTE involving K-shell excitation for projectiles with atomic numbers between 9 and 92 incident on H₂ and He targets.

Cross sections for total K-shell x-ray production and …

Electron-Energy And –Angular Distributions In The Double Photoionization Of Helium, R. Wehlitz, Franz Heiser, Oliver Hemmers, B. Langer, A. Menzel, U. Becker

Environmental Studies Faculty Publications

Photoelectron spectra of helium have been measured at different angles and at various energies above the double-ionization threshold up to 120 eV to investigate the behavior of the energy and angular distributions, of shake-off electrons. Both energy and angular distributions clearly show a U-shaped profile which turns to a flat curve near threshold pointing to a uniform intensity distribution over the kinetic energy for all angles in this excitation energy regime. Our results for the angular-distribution asymmetry parameter indicate qualitative agreement with theoretical predictions but fail to provide them quantitatively.

Gaseous Component Identification With Polymeric Film Sensor, Edward S. Kolesar Jr.

AFIT Patents

A sensor having an interdigitated gate electrode field effect transistor (IGEFET) coupled to an electron beam evaporated copper phthalocyanine thin film is used to selectively detect parts-per-billion concentration levels of atmosphere contaminants such as nitrogen dioxide (NO₂) and diisopropyl methylphosphonate (DIMP). The sensor is excited with a voltage pulse, and its time- and frequency-domain response are examined. The envelopes of the magnitude of the normalized difference frequency spectrums reveal features which unambiguously distinguish the NO₂ and DIMP exposures.

Anisotropy Of Polarized X-Ray Emission From Molecules, S. H. Southworth, Dennis W. Lindle, R. Mayer, P. L. Cowan

Chemistry and Biochemistry Faculty Research

Strongly anisotropic, polarized Cl K-V x-ray emission from gas-phase CF₃Cl has been observed following resonant excitation with a linearly polarized x-ray beam. Distinctively different angular distributions are observed for x-ray emission involving molecular orbitals of different symmetries. A classical model of the x-ray absorption-emission process accurately describes the observed radiation patterns.

Measurement Of The Ratio Of Double-To-Single Photoionization Of Helium At 2.8 Kev Using Synchrotron Radiation, Jon C. Levin, Dennis W. Lindle, N. Keller, R. D. Miller, Y. Azuma, N. Berrah Mansour, H. G. Berry, Ivan A. Sellin

Chemistry and Biochemistry Faculty Research

We report the first measurement of the ratio of double-to-single photoionization of helium well above the double-ionization threshold. Using a time-of-flight technique, we find He⁺⁺/He⁺=1.6±0.3% at hν=2.8 keV. This value lies between calculations by Amusia (2.3%) and by Samson, who predicts 1.2% by analogy with electron-impact ionization cross sections of singly charged ions. Good agreement is obtained with older shake calculations of Byron and Joachain, and of Åberg, who predict 1.7%.

Fock-Tani Hamiltonian For Reactions Involving Two-Electron Atoms, Jack C. Straton

Physics Faculty Publications and Presentations

The Fock-Tani Hamiltonian is found for scattering processes involving up to two ions and two electrons. Possible bound-state species include one or two electrons bound on an ion fixed at the origin, and a one-electron projectile atom. A diagrammatic technique is illustrated that simplifies the algebra of the transformation. Coulomb- or plane-wave states are automatically generated by the same asymptotic Hamiltonian for all arrangement channels.

Double Ionization Of Helium By Intermediate To High Velocity He+ Projectiles, Jun Forest

Masters Theses

Ionization of helium target atoms by He⁺ projectiles colliding with helium at energies of 0.125 to 3.0 MeV/u is investigated. Cross sections for single and double ionization, and ratios o f double-to-single ionization are determined for each outgoing projectile charge state, and are compared to previous studies. For the lowest energies investigated, the ratios are consistent with the two-step mechanism in which the projectile interacts separately with each target electron. At the highest energies, the ratios reach nearly constant values indicating approach to the high velocity limit. At these high energies, however, the ratios are all higher than the …

Resonant Electron Transfer And K-Shell Excitation Of FQ+ (Q=6,8) In Collisions With Neutral He And H2 Targets, Konstantinos E. Zaharakis

Masters Theses

Measurements of resonant transfer and excitation (RTE) were conducted for 16.5-38 MeV F⁶⁺ (Li-like) ions colliding with H₂. In the RTE process electron capture and projectile excitation take place simultaneously due to the electronelectron interaction. In previous work, for the same collision system, at the Oak Ridge National Laboratory (Oak Ridge, TN) , the magnitude of the measured RTE cross sections was found to be nearly a factor of two smaller than theory. In order to investigate RTE in F⁶⁺ H₂ collisions more completely, we undertook measurements at Western Michigan University using the EN tandem …

Double Excitation Of Helium By Fast Particles Of Charge Z, James H. Mcguire, Jack C. Straton

Physics Faculty Publications and Presentations

Results of calculations of double excitation of helium to n=2 states for fast projectiles of charge Z are presented. Nonzero Z³ contributions for single and double excitation occur only when time-ordering contributions from the second-order amplitude are nonzero. For double excitation, electron correlation must also be nonzero to obtain Z³ terms. The time-ordering effects arise from virtual off-energy-shell intermediate states. As with second-order amplitudes for Thomas singularities in electron capture, the energy-nonconserving amplitude is connected to the second-order energy-conserving amplitude by a dispersion relation. Comparison is made with experiment.

Rotationally Resolved Laser Spectroscopy Of The 3s2Σ+ ← 2p2ii Transition In 6li20ne And 7li20ne Van Der Waals Molecules, Chang Jae Lee

Physics Theses & Dissertations

The rotationally resolved absorption spectrum of the ⁶Li²⁰Ne and ⁷Li²⁰Ne 3s²Σ⁺ ← 2p² II transition has been observed. For each isotope, thirteen vibrational transitions from four vibrational levels (v"=0, 1, 2, and 3) of the lower 2p² II to six (v’=0, 1, 2, 3, 4, and 5) of the upper 3s*Σ⁺ electronic state have been rotationally analyzed. Adiabatic potentials and dissociation energies for both states have been obtained through an inverse perturbation analysis. For the 2p²II state, a well depth of 212(5) cm^-1 and an …

Molecular-Orbital Studies Via Satellite-Free X-Ray Fluorescence: Cl-K Absorption And K–Valence-Level Emission Spectra Of Chlorofluoromethanes, Rupert C. Perera, P. L. Cowan, Dennis W. Lindle, R. E. Lavilla, T. Jach, R. D. Deslattes

Chemistry and Biochemistry Faculty Research

X-ray absorption and emission measurements in the vicinity of the chlorine K edge of the three chlorofluoromethanes have been made using monochromatic synchrotron radiation as the source of excitation. By selectively tuning the incident radiation to just above the Cl 1s single-electron ionization threshold for each molecule, less complex x-ray-emission spectra are obtained. This reduction in complexity is attributed to the elimination of multielectron transitions in the Cl K shell, which commonly produce satellite features in x-ray emission. The resulting "satellite-free" x-ray-emission spectra exhibit peaks due only to electrons in valence molecular orbitals filling a single Cl 1s vacancy. These …

Relativistic Wave Equation For Anyons, R. Jackiw, V. Parameswaran Nair

Publications and Research

Construction of one-particle states as unitary representations of the Poincare algebra in 2 + 1 dimensions shows that an anyon has one polarization state. However, for nonzero spin manifestly linear and covariant realizations of Lorentz transformations require more than one field component, and an infinite number is needed when the value of spin is not an integer or half-integer. We discuss the relation between these two aspects of Poincare symmetry. In particular, we construct a relativistic equation for anyons where the number of physical polarizations is reduced to one by virtue of a gauge symmetry or equivalent constraint.

Calculated Point Defect Properties Of The Intermetallic Compounds Nickel Titanium (Niti) And Iron Titanium (Feti), Russell T. Lutton

Theses and Dissertations

Atomistic simulation with a modified version of the DYNAMO code was used to calculate the point defect properties of the intermetallic compounds nickel titanium and iron titanium. The calculated energies are believed to be experimentally accurate to within +/- 0.1 eV. Vacant Ni or Fe lattice sites were preferred and had energies of 6.356 eV for NiTi and 5.899 eV for FeTi. Removing a Ti atom resulted in a neighboring antisite defect caused by migration of a Ni or Fe atom into the vacant Ti site. These configurations had energies of 7.024 eV for NiTi and 6.336 eV for FeTi. …

Polarized X-Ray-Emission Studies Of Methyl Chloride And The Chlorofluoromethanes, Dennis W. Lindle, P. L. Cowan, T. Jach, R. E. Lavilla, R. D. Deslattes, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

A new technique sensitive to molecular orientation and geometry, and based on measuring the polarization of x-ray emission, has been applied to the Cl-containing molecules methyl chloride (CH₃Cl) and the chlorofluoromethanes (CF₃Cl, CF₂Cl₂, and CFCl₃) in the gas phase. Upon selective excitation using monochromatic synchrotron radiation in the Cl K-edge (Cl 1s) near-threshold region, polarization-selective x-ray emission studies reveal highly polarized molecular valence x-ray fluorescence for all four molecules. The degree and the orientation of the polarized emission are observed to be sensitive to the incident excitation energy near …

High Altitude Neutral Particle Transport Using The Monte Carlo Simulation Code Mcnp With Variable Density Atmosphere, David L. Monti

Theses and Dissertations

The Monte Carlo transport code, MCNP was modified for purposes of two dimensional neutron-photon transport modelling in a variable density atmosphere. Calculations were performed using cylindrical (r, z) geometry and a point isotropic neutron-photon source at an elevation of 40 kilometers. Neutron and photon fluence results were computed using ring detectors for field points at constant range versus source elevation angle and for field points at constant altitude versus radius. Comparisons between the modified and unmodified versions of MCNP showed a decrease in run time by a factor of two was possible. Only a fraction of the spatial cells previously …

A Study Of The Liquid-Solid Interface During Rapid Resolidification Of Cooper-Titanium Using Molecular Dynamics, Craig L. Loisel

Theses and Dissertations

The behavior of the liquid-solid interface during resolidification of a condensed copper-titanium crystal is studied by atomistic simulation. A system of 1080 atoms (540 of each type) was simulated. The interface was created using monte carlo techniques and resolidification was performed by molecular dynamics. Resolidification was attempted at temperatures of 1200 K, 1100 K, 1000 K, 900 K, 818 K and 773 K. The liquid-solid interface was found to move only at 773 K, resulting in a chemically disordered crystal. The interface velocity observed in the simulation is 6.6 m/s which agrees well with the theoretical value of 5.5 m/ …

First-Order Amplitude For General State-To-State Transitions In Hydrogen By Projectile Impact, Jack C. Straton

Physics Faculty Publications and Presentations

The closed analytic form for bound-state transitions due to projectile impact is found in the intermediate representation. The coordinate integral is obtained by evaluating the remaining two integrals in the general multicenter integral derived previously [J.C. Straton, Phys. Rev. A 41, 71 (1990)]. Evaluating the remaining time integral depends upon relating a sum of modified Bessel functions of the second kind K_N+1/2(z) to a simple polynomial in 1/z. The results of Van Den Bos and De Heer [Physica 34, 333 (1967)] are shown to be missing a phase factor of (-i)^(l′+l)

High-Resolution Photoelectron Spectrometry Study Of Conjugate Shakeup Processes In The Li 1s Threshold Region, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, U. Becker

Environmental Studies Faculty Publications

Partial cross sections and angular-distribution asymmetry parameters of diagram and satellite lines associated with Li 1s photoionization were measured using synchrotron-radiation excitation. Special emphasis was given to a high-resolution study of the ¹P and ³P conjugate shakeup satellite lines testing qualitative predictions of the conjugate shakeup model: increasing σ and decreasing β values towards threshold, both being verified. Comparison with recent relaxed Hartree-Fock calculations shows good agreement for the ¹P satellite, but demonstrates also that the present theory does not seem to be able to describe the cross-section behavior of the ³P satellite correctly.

Resistivity And Thermoelectric-Power Measurements Of PrXY1-XBa2Cu3O7-Δ Up To 1200 K And An Electronic-Structure Analysis, B. Fisher, J. Genossar, L. Patlagan, J. Ashkenazi

Physics Articles and Papers

We report measurements of absolute thermoelectric power and resistivity in Pr_xY_1-xBa₂Cu₃O_7-δ, as function of x and δ, over a wide temperature range. At high temperature, the substitution of Pr for Y does not affect the thermopower and resistivity; Pr behaves then as a trivalent ion: Pr³⁺. For small x and δ the effects of substitution of Y by Pr and of oxygen deficiency on the low-temperature resistivity are additive. A simple electronic-structure model is proposed to account for thermopower as function of temperature, x, and δ.

Flux States For The Infinite-U Limit Of The Hubbard Model, S. E. Barnes

Physics Articles and Papers

For finite doping, δ, relative to half filling, it is shown, within the confines of a mean-field auxiliary-operator formulation, for the strictly infinite-U, i.e., J=0, limit of the two-dimensional Hubbard model, that the spinons generate a fictitious magnetic flux to which holons are subject and vice versa. For small doping, a flux state is the absolute ground state and has 1-δ=2p/q, where p/q is a rational fraction and the flux per plaquette is Φ=(p/q)Φ₀, where Φ₀ is the flux quantum. This phenomenon can be viewed upon as an all-electron Peierls instability or as broken statistical symmetry.

Magnetic-Field-Induced Alignment-To-Orientation Conversion In Sodium, G. W. Schinn, Xianming Han

Scholarship and Professional Work - LAS

We report a detailed investigation of excited-state alignment-to-orientation conversion in the presence of an external magnetic field. This counterintuitive phenomenon occurs under intermediate-coupling conditions. A weak, linearly polarized, cw laser beam was used to excite and align the Na 3P3/2 state in an atomic beam along the z direction. The degree of circular polarization of the resulting fluorescence was detected along the z direction as a function of magnetic-field strength. The spectrally integrated transitions originating from individual F levels of the 3S1/2 state yield a maximum circular-polarization fraction of ∼40%; integrating the circular polarization over all the allowed 3S1/2-3P3/2 transitions …

Fine‐Structure Mixing Within The Zn(43pj) Multiplet By Collisions With The Noble Gases, Xianming Han, J. F. Kelly

Scholarship and Professional Work - LAS

Measurements of rate coefficients for intramultiplet state transfer of Zn(4 ³ P ₁→4 ³ P _J’) by collisions with the rare gases are presented. The state‐to‐state binary rate coefficients are derived from least‐squares fittings of the time‐resolved triexponential behavior of the 4 ³ P ₁fluorescence. These rate coefficients were studied systematically over a temperature range of 690–1100 K in order to characterize the velocity dependence of the collisional coupling. The systematic behavior of the rate coefficients with varying temperature and noble gas species is qualitatively consistent with a nearly adiabatic coupling limit for noncrossing levels.

Forbidden Lines Of Np^Q Ions. Ii. Line Intensities, J. P. Lynch, Menas Kafatos

Mathematics, Physics, and Computer Science Faculty Articles and Research

Ground state forbidden transitions of np^q ions of C, N, 0, Ne, Mg, Si, S, and Fe can provide important information on the state of cosmic ionized gases. Wavelengths of these lines are in the far- and near-UV visible and near- and far-IR regions of the spectrum. The line intensity ratios of particular transitions in q = 2, 4 ions can provide information on the temperature of the gas and in q = 3 ions information on the density of the gas. In the present work we have tabulated the line intensities of 95 transitions of these ions, which include …

Direct Determination Of Molecular-Orbital Symmetry Of H2s Using Polarized X-Ray Emission, R. Mayer, Dennis W. Lindle, S. H. Southworth, P. L. Cowan

Chemistry and Biochemistry Faculty Research

X-ray emission from the molecule H₂S is strongly polarized following excitation of a sulfur K-shell electron to an unoccupied subthreshold molecular orbital with a polarized x-ray beam. Changes in the polarization of the emission spectrum are observed as the incident beam's energy is swept across the subthreshold absorption resonance. The previously unresolved absorption resonance is shown experimentally to be primarily associated with a molecular orbital of b₂ symmetry, but with a high-excitation-energy component due to an orbital with a₁ symmetry. Satellite emission intensity is shown to depend on the primary photon energy and is therefore associated …