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Modelling dynamical 3D electron diffraction intensities. II. The role of inelastic scattering
1Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom.
Acta Crystallographica. Section A, Foundations and Advances
|January 25, 2024
Summary
High-energy electrons interacting with crystals cause inelastic scattering, affecting Bragg beam intensities. Simulations show this scattering has minimal impact on crystal structure refinement when background subtraction is accurate.
Area of Science:
- Materials Science
- Solid-State Physics
- Crystallography
Background:
- High-energy electron interactions with crystals involve elastic and inelastic scattering.
- Phonon and plasmon excitation are significant inelastic events impacting Bragg beam intensities.
- Accurate crystal structure refinement necessitates understanding inelastic scattering effects.
Purpose of the Study:
- To investigate the impact of phonon and plasmon scattering on Bragg beam intensities.
- To simulate inelastic scattering events in crystals using a combined Bloch wave-Monte Carlo method.
- To assess the influence of inelastic scattering on crystal structure refinement.
Main Methods:
- Combined Bloch wave-Monte Carlo simulation method.
- Simulation of phonon and plasmon scattering in crystals.
- Analysis of Bragg beam intensities and unscattered beam intensity.
Main Results:
- Simulated thermal and plasmon diffuse scattering align with experimental data.
- Unscattered beam intensity decreases with energy loss in the low-loss regime.
- Bragg-diffracted beam intensities remain largely unchanged in the low energy loss regime.
Conclusions:
- Inelastic scattering, including diffuse scattering, does not significantly affect crystal structure refinement.
- Accurate refinement is achievable if background subtraction methods avoid artifacts.
- Relative intensities of diffracted beams remain consistent in the low energy loss range.
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