Actions

Download Analytics Citations

Export to: EndNote  |  Zotero  |  Mendeley

Collections

This file is in the following collections:

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