Calculations of electron inelastic mean free paths. XIII. Data for 14 organic compounds and water over the 50 eV to 200 keV range with the relativistic full Penn algorithm.

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We have calculated inelastic mean free paths (IMFPs) for 14 organic compounds (26-n-paraffin, adenine, β-carotene, diphenyl-hexatriene, guanine, Kapton, polyacetylene, poly(butene-1-sulfone), polyethylene, polymethylmethacrylate, polystyrene, poly(2-vinylpridine), thymine, and uracil) and liquid water for electron energies from 50 eV to 200 keV with the relativistic full Pen algorithm including the correction of the bandgap effect in insulators. These calculations were made with energy-loss functions (ELFs) obtained from measured optical constants and from calculated atomic scattering factors for X-ray energies. Our calculated IMFPs could be fitted to a modified form of the relativistic Bethe equation for inelastic scattering of electrons in matter from 50 eV to 200 keV. The average root-mean-square (RMS) deviation in these fits was 0.17 %. The IMFPs were also compared with a relativistic version of our predictive Tanuma-Powell-Penn (TPP-2M) equation. The average RMS deviation in these comparisons was 7.2 % for energies between 50 eV and 200 keV. This average RMS deviation is lower than that found in a similar comparison for our group of 41 elemental solids (11.9 %) and for our group of 42 inorganic compounds (10.7%) for the same energy range. We found generally satisfactory agreement between our calculated IMFPs and values from other calculations for energies between 200 eV and 10 keV. We also found reasonable agreement between our IMFPs for organic compounds and measured IMFPs for energies between 50 eV and 200 keV. Substantial progress for IMFP measurements for liquid water has been made in recent years through the invention of liquid-water microjet photoelectron spectroscopy and droplet photoelectron imaging. We found that the IMFPs from these experiments and the associated analyses were larger than our IMFPs by factors between two and four for energies between about 30 eV and 1000 eV. The energy dependences of the measured IMFPs are, however, similar to that of our IMFPs in the same energy range. Since IMFPs calculated from the same algorithm for a number of inorganic compounds agree reasonably well with measured IMFPs for energies between 100 eV and 200 keV, the large differences between IMFPs for water from recent experiments and our results are surprising and need to be resolved with additional experiments.

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  • 26-n-paraffin
  • adenine
  • polystyrene
  • poly(2-vinylpridine)
  • thymine
  • uracil
  • liquid water
  • β-carotene
  • diphenyl-hexatriene
  • guanine
  • Kapton
  • polyacetylene
  • poly(butene-1-sulfone)
  • polyethylene
  • polymethylmethacrylate
Date published
  • 06/01/2022
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  • 06/01/2022
Last modified
  • 13/04/2022
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