Study of electron impact inelastic scattering of chlorine molecule (Cl₂)

Abstract

A theoretical study is carried out for electron interactions with the chlorine molecule (Cl 2 ) for 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 symmetric excitation energies, dissociative electron attachment (DEA), total excitation cross sections, and ionization cross section (Q ion ) along with total inelastic cross sections (Q inel ). The present study is important since Cl 2 is a prominent gas for plasma etching and its anionic atoms are important in the etching of semiconductor wafers. In order to compute the total inelastic cross sections, we have employed the ab initio R-matrix method (0.01 to 15 eV) together with the spherical complex optical potential method (∼15 to 5000 eV). The R-matrix calculations are performed using a close coupling method, and we have used DEA estimator via Quantemol-N to calculate the DEA fragmentation and cross sections. The present study finds overall good agreement with the available experimental data. Total excitation and inelastic cross sections ofe Cl 2 scattering for a wide energy range (0.01 to 5 keV) are reported for the first time, to the best of our knowledge.

Theoretical Investigation of Dissociative Electron Attachment of Acrylonitrile

“…The resonance positions and widths obtained here are used for the DEA cross-section calculations. More details about the R-matrix method are given in earlier publications, ,,− and the methodology employed for DEA cross-section calculations , is explained in brief below and can also be found in the report by Munro et al…”

Generation and optimization of cross-sections for electron-C4F7N collisions

“…For a more detailed review of the R-matrix method in general, see [67]. Some recent research which investigates the calculation of cross-sections by R-matrix methods, and compares these to swarm-optimized or measured cross-sections, have been conducted for CO [68], Ar [69], Cl 2 [70], SF 6 [71], I and I 2 [72], and NH 3 [73].…”

Theoretical Investigation of Electron Impact Scattering on Imidazole

“…This phenomenon is described as below normale − + IMI → false[ IMI − normalH false] − + normalH The DEA cross section is calculated using the R -matrix code through Quantemol-N software . The detailed procedure for this calculation is already discussed in our earlier publications; − hence, we provide a brief description here for the benefit of the new researchers. In R -matrix calculations, the DEA cross section is primarily determined by two parameters: σ r ( Ei ), which is the resonance cross section for the TNI, and survival probability ( S ) for the resonance, which is the probability of a target molecule in that resonant state dissociating before autoionization.…”

“…For this calculation, the required inputs are the dissociation energy of [IMI–H] − from C 3 H 4 N 2 (3.97 eV), the ground-state vibrational energy Ev of imidazole (taken as 3656 cm –1 ), and the electron affinity of [IMI–H] − (taken as 2.613 eV). Additionally, the resonance cross sections σ r are determined by calculating the resonance position and width using the RESON program and fitting the eigenphase sum to the Breit–Wigner profile, as explained in our previous publication …”