Validation of cross sections for Monte Carlo simulation of the photoelectric effect

TL;DR

This study evaluates various theoretical and empirical photoionization cross section models against experimental data to identify the most accurate models for Monte Carlo simulations of the photoelectric effect.

Contribution

It provides a comprehensive validation of cross section models, confirming Scofield's 1973 calculations as the most accurate for Monte Carlo particle transport.

Findings

Scofield's 1973 non-relativistic calculations best match experimental total cross sections.

Specialized models do not significantly outperform Scofield's data.

Modifications to Geant4's parameterization reduce accuracy at low energies.

Abstract

Several total and partial photoionization cross section calculations, based on both theoretical and empirical approaches, are quantitatively evaluated with statistical analyses using a large collection of experimental data retrieved from the literature to identify the state of the art for modeling the photoelectric effect in Monte Carlo particle transport. Some of the examined cross section models are available in general purpose Monte Carlo systems, while others have been implemented and subjected to validation tests for the first time to estimate whether they could improve the accuracy of particle transport codes. The validation process identifies Scofield's 1973 non-relativistic calculations, tabulated in the Evaluated Photon Data Library(EPDL), as the one best reproducing experimental measurements of total cross sections. Specialized total cross section models, some of which derive from more recent calculations, do not provide significant improvements. Scofield's non-relativistic calculations are not surpassed regarding the compatibility with experiment of K and L shell photoionization cross sections either, although in a few test cases Ebel's parameterization produces more accurate results close to absorption edges. Modifications to Biggs and Lighthill's parameterization implemented in Geant4 significantly reduce the accuracy of total cross sections at low energies with respect to its original formulation. The scarcity of suitable experimental data hinders a similar extensive analysis for the simulation of the photoelectron angular distribution, which is limited to a qualitative appraisal.