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Modelling dynamical 3D electron diffraction intensities |
Modelling dynamical 3D electron diffraction intensities: II. role of inelastic scattering [software] Open Access
The strong interaction of high energy electrons with a crystal results in both dynamical elastic diffraction as well as inelastic scattering, particularly phonon and plasmon excitation, which have relatively large cross-sections. For accurate crystal structure refinement it is therefore important to uncover the role of inelastic scattering on the Bragg beam intensities. Here a combined Bloch wave-Monte Carlo method is used to simulate phonon and plasmon scattering in crystals. The simulated thermal and plasmon diffuse scattering are consistent with experiment. Furthermore, the simulations also confirm the empirical observation of larger Bragg beam intensities relative to the unscattered beam with increasing energy loss in the low loss regime. It is proposed that the random azimuthal scattering angle during inelastic events gives rise to a precession-type effect, where part of the unscattered beam intensity is transferred to the inner Bragg reflections. The precession effect can be quite large (e.g. 25% change in relative intensities) and could therefore be an important artefact in 3D electron crystallography.
Descriptions
- Resource type
- Software
- Contributors
- Creator:
Mendis, Budddhika
1
Contact person: Mendis, Budddhika 1
1 Durham University, UK
- Funder
- Research methods
- Other description
- Keyword
- Inelastic diffuse scattering
Phonons
Plasmons
Bloch waves
Precession electron diffraction.
- Subject
- Location
- Language
- Cited in
- Identifier
- ark:/32150/r2x920fw895
doi:10.15128/r2x920fw895
- Rights
- Creative Commons Attribution 4.0 International (CC BY)
- Publisher
-
Durham University
- Date Created
File Details
- Depositor
- B.G. Mendis
- Date Uploaded
- 3 August 2023, 15:08:30
- Date Modified
- 4 August 2023, 10:08:36
- Audit Status
- Audits have not yet been run on this file.
- Characterization
-
File format: zip (ZIP Format)
Mime type: application/zip
File size: 14446
Last modified: 2023:08:03 16:49:36+01:00
Filename: Open source code.zip
Original checksum: e6769573a73f54668d0c3f98ad9e7f4b
User Activity | Date |
---|---|
User N. Syrotiuk has updated Modelling dynamical 3D electron diffraction intensities: II. role of inelastic scattering [software] | about 1 year ago |
User N. Syrotiuk has updated Modelling dynamical 3D electron diffraction intensities: II. role of inelastic scattering [software] | about 1 year ago |
User B.G. Mendis has updated Code for "Modelling dynamical 3D electron diffraction intensities: II. role of inelastic scattering" | about 1 year ago |
User B.G. Mendis has updated Code for "Modelling dynamical 3D electron diffraction intensities: II. role of inelastic scattering" | about 1 year ago |
User B.G. Mendis has updated Code for "Modelling dynamical 3D electron diffraction intensities: II. role of inelastic scattering" | about 1 year ago |
User B.G. Mendis has deposited Open source code.zip | about 1 year ago |