English

Structure refinement from 'Digital' Large Angle Convergent Beam Electron Diffraction Patterns

Materials Science 2019-01-09 v1

Abstract

We use semi-automated data acquisition and processing to produce digital large angle CBED (D-LACBED) patterns. We demonstrate refinements of atomic coordinates and isotropic Debye-Waller factors for well-known materials using simulations produced with a neutral, spherical independent atom model. We find that atomic coordinate refinements in Al2O3 have sub-pm precision and accuracy. Isotropic DWFs are accurate for Cu, a simple fcc metal, but do not agree with X-ray measurements of GaAs or Al2O3. This indicates that models of bonding will be essential to fully interpret D-LACBED data.

Keywords

Cite

@article{arxiv.1811.00089,
  title  = {Structure refinement from 'Digital' Large Angle Convergent Beam Electron Diffraction Patterns},
  author = {Alex Hubert and Rudolf A. Römer and Richard Beanland},
  journal= {arXiv preprint arXiv:1811.00089},
  year   = {2019}
}
R2 v1 2026-06-23T04:59:44.952Z