Low-energy electron scattering by CF4, CCl4, SiCl4, SiBr4, and SiI4

Citation
Mtd. Varella et al., Low-energy electron scattering by CF4, CCl4, SiCl4, SiBr4, and SiI4, PHYS REV A, 60(5), 1999, pp. 3684-3693
Citations number
31
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
60
Issue
5
Year of publication
1999
Pages
3684 - 3693
Database
ISI
SICI code
1050-2947(199911)60:5<3684:LESBCC>2.0.ZU;2-#
Abstract
in this paper, we show elastic and rotationally inelastic cross-section cal culations of low-energy electron scattering by CF4, CCl4, SiCl4, SiBr4, and SiI4. The fixed-nuclei static-exchange scattering amplitudes were obtained with the Schwinger multichannel method with soft norm-conserving pseudopot entials. We show elastic integral and differential cross sections and discu ss the role of the basis set on the nature of some structures seen in a pre vious publication [A. P. P; Natalense et al., Phys. Rev. A 52, R1 (1995)]. We have attributed these structures to linear dependency in the basis set c aused by the symmetric combination (x(2)+y(2)+z(2))exp(-ar(2)). The rotatio nal cross sections were calculated with the help of the adiabatic-nuclei-ro tation approximation. Our results are in good agreement with available expe rimental data. The sums of 0 -->0,3,4,6 rotational cross sections in genera l show good agreement with the elastic (rotationally unresolved) ones. The rotationally summed integral cross section agrees within 0.3% with the elas tic integral cross section for CF4 at 7.5 eV, and within 26% for SiI4 at 30 eV. It was found that rotationally inelastic cross sections are considerab ly large for such molecules, because the heavy peripheral atoms play a sign ificant role as scattering centers. [S1050-2947(99)00611-3].