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Induced chemistry by scattering of electrons from magnesium oxide

Vinodkumar, M., Desai, H., Vinodkumar, P.C., Mason, Nigel (2016) Induced chemistry by scattering of electrons from magnesium oxide. Physical Review A, 93 (1). Article Number 12702. ISSN 2469-9926. (doi:10.1103/PhysRevA.93.012702) (KAR id:74669)

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https://doi.org/10.1103/PhysRevA.93.012702

Abstract

A detailed theoretical study is carried out for electron interactions with magnesium oxide (MgO) with incident energies ranging from 0.01 to 5000 eV. This wide range of energy has allowed us to investigate a variety of processes and report data on resonances through eigenphase study, vertical electronic excitation energies, differential, momentum transfer, and total cross sections (TCS), as well as scattering rate coefficients. MgO has a large number of low-lying π excited states and the present study finds overall a good agreement with earlier reported data. In order to compute total cross sections, we have employed the ab initio R-matrix method (0.01 to ∼20 eV) and the spherical complex optical potential method (∼20 to 5000 eV). The R-matrix calculations are performed using a close-coupling method with the aid of 34 target states, 1436 configuration state functions, and 213 channels employing a static exchange plus polarization model. The present study reports evidence for electron scattering resonances through analysis of eigenphase diagrams at low energies below the ionization threshold. In the absence of any theoretical or experimental data for resonances, we have done double differentiation of TCS to confirm the resonances reported here. The present study is a maiden effort to report excitation cross sections, differential cross sections, momentum transfer cross sections, and scattering rate coefficients at low energies below the ionization threshold of the target. Additionally, in the absence of any experimental data and sparse theoretical data for a total elastic cross section, the present comprehensive study will provide a reference data set over such an extensive impact energy range.

Item Type: Article
DOI/Identification number: 10.1103/PhysRevA.93.012702
Uncontrolled keywords: Calculations, Electric excitation, Electron scattering, Electronic document exchange, Ionization, Magnesia, Magnesium, Momentum transfer, Resonance, Close-coupling method, Configuration state functions, Differential cross section, Elastic cross sections, Electronic excitation energy, Excitation cross section, Ionization thresholds, Momentum transfer cross sections, Matrix algebra
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Nigel Mason
Date Deposited: 02 Jul 2019 15:40 UTC
Last Modified: 19 Oct 2020 14:15 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/74669 (The current URI for this page, for reference purposes)
Mason, Nigel: https://orcid.org/0000-0002-4468-8324
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