A tool to plan photon-in/photon-out experiments: count rates, dips and self-absorption

Area of Science:

• Atomic and Molecular Physics
• Materials Science
• Spectroscopy

Background:

• Experimental planning for X-ray detection can be complex.
• Accurate prediction of experimental outcomes is crucial for efficient research.

Purpose of the Study:

• To present a computational tool for planning fluorescence-detected X-ray absorption spectroscopy experiments.
• To evaluate experimental feasibility and the impact of self-absorption.
• To explore the potential for range-extended EXAFS (Extended X-ray Absorption Fine Structure).

Main Methods:

• The tool utilizes the standard formula for fluorescence-detected X-ray absorption spectroscopy.
• It employs tabulated parameters to estimate X-ray count rates.
• Simulations are performed to assess experimental parameters and spectral characteristics.

Main Results:

• The program provides estimates for experimental feasibility and count rates.
• It quantifies the influence of self-absorption on spectral shapes.
• The potential for achieving range-extended EXAFS is investigated.
• The phenomenon of 'negative' edges (signal decrease) is analyzed.

Conclusions:

• The developed program is a valuable tool for optimizing X-ray spectroscopy experiments.
• Understanding self-absorption is key to accurate spectral interpretation.
• The tool facilitates the exploration of advanced spectroscopic techniques like extended EXAFS.