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Calculations of Electron Inelastic Mean Free Paths. XI. Data for Liquid Water for Energies from 50 eV to 30 keV

Published

Author(s)

Cedric J. Powell, B Da, Shigeo Tanuma, H. Yoshikawa, H Shinotsuka, David R. Penn

Abstract

We calculated electron inelastic mean free paths (IMFPs) for liquid water from its optical energy-loss function (ELF) for electron energies from 50 eV to 30 keV with the relativistic full Penn algorithm (FPA) that has been used for previous IMFP and electron stopping-power calculations for many elemental solids. We also calculated IMFPs of water with three different algorithms: the relativistic single-pole approximation (SPA), the relativistic simplified SPA, and the relativistic extended Mermin method. These calculations were made using the same optical ELF in order to assess any differences of the IMFPs arising from choice of the algorithm. We found good agreement among the IMFPs from the four algorithms for energies over 300 eV. For energies less than 100 eV, however, large differences became apparent. IMFPs from the relativistic TPP-2M equation for predicting IMFPs were in good agreement with IMFPs from the four algorithms for energies between 300 eV and 30 keV but there was poorer agreement for lower energies. We calculated values of the static structure factor as a function of momentum transfer from the FPA. The resulting values were in good agreement with results from first-principles calculations and with inelastic X-ray scattering spectroscopy experiments. We made comparisons of our IMFPs with earlier calculations from authors who had used different algorithms and different ELF data sets. IMFP differences could then be analyzed in terms of the algorithms and the data sets. Finally, we compared our IMFPs with measurements of IMFPs and of a related quantity, the effective attenuation length (EAL). There were large variations in the measured IMFPs and EALs (as well as their dependence on electron energy). Further measurements are therefore required to establish consistent data sets and for more detailed comparisons with calculated IMFPs.
Citation
Surface and Interface Analysis
Volume
49
Issue
4

Keywords

electron inelastic mean free path, liquid water, relativistic full Penn algorithm, static structure factor, effective attenuation length, inelastic scattering

Citation

Powell, C. , Da, B. , Tanuma, S. , Yoshikawa, H. , Shinotsuka, H. and Penn, D. (2016), Calculations of Electron Inelastic Mean Free Paths. XI. Data for Liquid Water for Energies from 50 eV to 30 keV, Surface and Interface Analysis, [online], https://doi.org/10.1002/sia.6123 (Accessed April 19, 2024)
Created August 30, 2016, Updated June 2, 2021