Closing in on the R-factor gap using dynamical scattering Bloch-wave modelling.
- Abstract number
- 23
- Presentation Form
- Poster
- DOI
- 10.22443/rms.mmc2023.23
- Corresponding Email
- [email protected]
- Session
- Poster Session Three
- Authors
- Mr Anton Cleverley (1), Prof Ricahard Beanland (1)
- Affiliations
-
1. University of Warwick
- Keywords
Electron Diffraction, Simulation, Bloch-wave, Dynamical Scattering.
- Abstract text
The popularity of electron diffraction (ED) techniques for crystal structure solution has soared in the past decade. However, an outstanding problem in ED is the optimisation of R-factors, which describe the quality of fit between experimental and modelled diffracted intensities for a given structural solution. Here, we delve into the dynamical scattering world using optimised Bloch-wave modelling applied to various crystal structures, show the marked improvement when taking into account dynamical scattering theory rather than the standard kinematical approximations used routinely for x-ray methods and applied to electron diffraction datasets.