arXiv subjects

Z. Felfli

Publications and source records attributed to Z. Felfli.

12 recordsLinked to original sources

arXiv2018

Low-energy electron scattering from atomic Th, Pa, U, Np and Pu: Negative ion formation

Here we investigate ground and metastable negative ion formation in low-energy electron collisions with the actinide atoms Th, Pa, U, Np and Pu through the elastic total cross sections (TCSs) calculations. For these atoms, the presence of two or more open d- and f- subshell electrons presents a formidable computational task for conventional theoretical methods, making it difficult to interpret the calculated results. Our robust Regge pole methodology which embeds the crucial electron correlations and the vital core-polarization interaction is used for the calculations. These are the major physical effects mostly responsible for stable negative ion formation in low-energy electron scattering from complex heavy systems. We find that the TCSs are characterized generally by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances manifesting ground and metastable negative ion formation during the collisions. The extracted from the ground states TCSs anionic binding energies (BEs) are found to be 3.09 eV, 2.98 eV, 3.03 eV, 3.06 eV and 3.25 eV for Th, Pa, U, Np and Pu, respectively. Interestingly, an additional polarization-induced metastable TCS with anionic BE value of 1.22 eV is created in Pu due to the size effect. We also found that our excited states anionic BEs for several of these atoms compare well with the existing theoretical electron affinities including those calculated using the relativistic configuration-interaction method. We conclude that the existing theoretical calculations tend to identify incorrectly the BEs of the resultant excited anionic states with the electron affinities of the investigated actinide atoms; this suggests a need for an unambiguous definition of electron affinity.

physics.atom-ph↗

arXiv2018

Theory and simulation of spectral line broadening by exoplanetary atmospheric haze

Atmospheric haze is the leading candidate for the flattening of expolanetary spectra, as it's also an important source of opacity in the atmospheres of solar system planets, satellites, and comets. Exoplanetary transmission spectra, which carry information about how the planetary atmospheres become opaque to stellar light in transit, show broad featureless absorption in the region of wavelengths corresponding to spectral lines of sodium, potassium and water. We develop a detailed atomistic model, describing interactions of atomic or molecular radiators with dust and atmospheric haze particulates. This model incorporates a realistic structure of haze particulates from small nano-size seed particles up to sub-micron irregularly shaped aggregates, accounting for both pairwise collisions between the radiator and haze perturbers, and quasi-static mean field shift of levels in haze environments. This formalism can explain large flattening of absorption and emission spectra in haze atmospheres and shows how the radiator - haze particle interaction affects the absorption spectral shape in the wings of spectral lines and near their centers. The theory can account for nearly all realistic structure, size and chemical composition of haze particulates and predict their influence on absorption and emission spectra in hazy environments. We illustrate the utility of the method by computing shift and broadening of the emission spectra of the sodium D line in an argon haze. The simplicity, elegance and generality of the proposed model should make it amenable to a broad community of users in astrophysics and chemistry.

astro-ph.EP↗

arXiv2017

Simple method for determining binding energies of fullerene negative ions

A robust potential wherein is embedded the crucial core polarization interaction is used in the Regge Pole methodology to calculate low energy electron elastic scattering total cross section (TCS) for the C60 fullerene in the electron impact energy range 0.02 through 10.0 eV. The energy position of the characteristic dramatically sharp resonance appearing at the second Ramsauer Townsend (RT) minimum of the TCS representing stable C60 fullerene negative ion formation agrees excellently with the measured electron affinity (EA) of C60 [Huang et al 2014 J. Chem. Phys. 140 224315]. The benchmarked potential and the Regge-pole method are then used to calculate electron elastic scattering TCSs for selected fullerenes, from C54 through C240. The TCSs are found to be characterized generally by RT minima, shape resonances (SRs) and dramatically sharp resonances representing long lived ground state fullerene negative ion formation. For the TCSs of C70, C76, C78, and C84 the agreement between the energy positions of the very sharp resonances, corresponding to the binding energies (BEs) of the resultant fullerene negative ions, and the measured EAs is outstanding. Additionally, we extract the BEs of the resultant fullerene negative ions from our calculated TCSs of the C86, C90 and C92 fullerenes with estimated EAs larger than 3.0 eV by the experiment [Boltalina et al, 1993 Rapid Commun. Mass Spectrom. 7 1009] as well as of other fullerenes, including C180 and C240. Most of the TCSs presented in this paper are the first and only. Our novel approach is general and should be applicable to other fullerenes as well and complex heavy atoms, such as the lanthanide atoms. We conclude with a remark on the catalytic properties of the fullerenes through their negative ions.

physics.atm-clus↗

arXiv2016

Negative ion formation in lanthanide atoms: Many-body effects

Investigations of low-energy electron-scattering of the lanthanide atoms Eu, Nd, Tb, Tm demonstrate that electron-correlation effects and core polarization are the dominant fundamental many-body effects responsible for the formation of metastable states of negative ions. Ramsauer Townsend minima, shape resonances and binding energies of the resultant anions are identified and extracted from the elastic total cross sections calculated using the complex angular momentum method. The large discrepancy between the recently measured electron affinity of 0.116 and the previously measured value of 1.053 eV for Eu is resolved. Also, the previously measured electron affinities for Nd, Tb and Tm are reconciled and new values are extracted from the calculated total cross sections. The large electron affinities found here for these atoms, should be useful in negative ion nanocatalysis, including methane conversion to methanol without CO2 emission, with significant environmental impact.. The powerful complex angular momentum method which requires only a few poles, yields reliable binding energies for the metastable states of negative ions with no a priori knowledge of experimental or other theoretical data and should be applicable to other complex systems for the fundamental understanding of their interactions.

physics.atom-ph↗

arXiv2015

Core-Polarization and Relativistic Effects in Electron Affinity Calculations for Atoms: A Complex Angular Momentum Investigation

Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the vital electron-electron correlations is used. The core-polarization effects are studied through the well investigated rational function approximation of the Thomas-Fermi potential,which can be analytically continued into the complex plane. The EAs are extracted from the large resonance peaks in the calculated low-energy electron atom scattering total cross sections and compared with those from measurements and sophisticated theoretical methods. It is concluded that when the electron-electron correlation effects and core polarization interactions are accounted for adequately the importance of relativity on the calculation of the electron affinities of atoms can be assessed. For At, relativistic effects are estimated to contribute a maximum of about 3.6 percent to its (non-relativistic) calculated electron affinity.

physics.atom-ph↗

arXiv2012

Radiation Damping in the Photoionization of Fe^{14+}

A theoretical investigation of photoabsorption and photoionization of Fe^{14+} extending beyond an earlier frame transformation R-matrix implementation is performed using a fully-correlated, Breit-Pauli R-matrix formulation including both fine-structure splitting of strongly-bound resonances and radiation damping. The radiation damping of $2p\rightarrow nd$ resonances gives rise to a resonant photoionization cross section that is significantly lower than the total photoabsorption cross section. Furthermore, the radiation-damped photoionization cross section is found to be in good agreement with recent experimental results once a global shift in energy of $\approx -3.5$ eV is applied. These findings have important implications. Firstly, the presently available synchrotron experimental data are applicable only to photoionization processes and not to photoabsorption; the latter is required in opacity calculations. Secondly, our computed cross section, for which the L-shell ionization threshold is aligned with the NIST value, shows a series of $2p \rightarrow nd$ Rydberg resonances that are uniformly 3-4 eV higher in energy than the corresponding experimental profiles, indicating that the L-shell threshold energy values currently recommended by NIST are likely in error.

physics.atom-ph↗

arXiv2011

Self-intersecting Regge trajectories in multi-channel scattering

We present a simple direct method for calculating Regge trajectories for a multichannel scattering problem. The approach is applied to the case of two coupled Thomas-Fermi type potentials, used as a crude model for electron-atom scattering below the second excitation threshold. It is shown that non-adiabatic interaction may cause formation of loops in Regge trajectories. The accuracy of the method is tested by evaluating resonance contributions to elastic and inelastic integral cross sections.

quant-ph↗

arXiv2011

Multiple anion formation in low energy electron collisions with Tl atoms: Regge-pole prediction

The complex angular momentum (CAM) calculated low-energy 0 < E < 5 eV electron elastic total cross section (TCS) for In is benchmarked through its recently measured electron affinity (Walter et al, Phys. Rev. A 82, 032507 (2010)). The TCSs for Tl and Ga atoms are then calculated using the CAM method. From the dramatically sharp resonances in the TCSs binding energies for Tl^{-} and Ga^{-} negative ions formed during the collisions are extracted and compared with existing values. Three stable bound negative ions of Tl are predicted.

physics.atom-ph↗

arXiv2009

Regge resonances in low-energy electron elastic cross sections for Ge, Sn and Pb atoms: manifestations of stable excited anions

Low-energy E < 2 eV electron elastic collisions with Ge, Sn and Pb atoms yield stable excited Ge-, Sn- and Pb- anions. The recent Regge-pole methodology is used with Thomas-Fermi type potential incorporating the crucial core-polarization interaction to calculate elastic total and Mulholland partial cross sections. For excited Ge- and Sn- anions the extracted binding energies from the unique characteristic sharp Regge resonances manifesting stable excited states formed during the collisions agree excellently with experimental values; for Pb- the prediction requires experimental verification. The calculated differential cross sections also yield the binding energies.

physics.atom-ph↗

arXiv2009

Novel Electron Spectroscopy of Tenuously and Weakly Bound Negative Ions

A novel method is proposed that uses very slow electron elastic collisions with atoms to identify their presence through the observation of tenuously bound (electron impact energy, E<0.1 eV) and weakly bound (E<1 eV) negative ions, formed as Regge resonances during the collisions.

physics.atom-ph↗

arXiv2007

Octupole Contributions to the Generalized Oscillator Strengths of Discrete Dipole Transitions in Noble Gases

The generalized oscillator strengths (GOS) of discrete excitations np-nd, both dipole (L=1) and octupole (L=3) are studied, the latter for the first time. We demonstrate that although the relevant transitions in the same atom are closely located in energy, the dependence of their GOS on the momentum transfer q squared, is remarkably different, so that the GOS corresponding to L=3 have at least one extra maximum as a function of q squared and dominate over those of the L=1, starting from about q=1.25$ atomic unit (a.u.). The calculations were performed in the one particle Hartree-Fock approximation and with account of many-electron correlations via the Random Phase Approximation with Exchange. The GOS are studied for values of q squared up to 30 a.u.

physics.atom-ph↗

arXiv2003

Correlation structure in nondipole photoionization

The nondipole parameters that characterize the angular disribution of the photoelectrons from the 3d subshell of Cs are found to be altered qualitatively by the inclusion of correlation in the form of interchannel coupling between the $3d_{3/2}$ and $3d_{5/2}$ photoionization channels. A prominent characteristic maximum is predicted only in the parameters for $3d_{5/2}$ photoionization, while the effect for $3d_{3/2}$ is rather weak. The results are obtained within the framework of the Generalized Random Phase Approximation with Exchange (GRPAE), which in addition to the RPAE effects takes into account the rearrangement of all atomic electrons due to the creation of a 3d vacancy.

physics.atom-ph↗