5 papers
Resolving competing distortions in Ca0.4Sr0.6TiO3 using complementary electron and X-ray techniques
Robin Sjökvist, Catriona A. Crawford, Richard Beanland +1
We present a study of the perovskite Ca0.4Sr0.6TiO3 using variable temperature transmission electron microscopy (TEM) and powder X-ray diffraction (PXRD). At room temperature and b…
Accurate and Efficient Interatomic Potentials for Dislocations in InP
Thomas Rocke, Thomas Hudson, Richard Beanland +1
We present Atomic Cluster Expansion (ACE) and MACE models trained on a new dataset of Density Functional Theory (DFT) calculations, constructed for the task of studying the mobilit…
The Microscopic Structure of Stacking Faults in SrNaNbO
Robin Sjökvist, Yining Xie, Zabeada Aslam +4
Stacking faults and other topological defects in ferroics can have a significant influence on the electronic and mechanical properties of the material. Here, regular stacking fault…
Template masks for 4D-STEM
Yining Xie, Eoin Moynihan, Marin Alexe +3
We present a new analysis method for atomic resolution four-dimensional scanning transmission electron microscopy (4D-STEM, in which a diffraction pattern is collected at each poin…
Large-Angle Convergent-Beam Electron Diffraction Patterns via Conditional Generative Adversarial Networks
Joseph J. Webb, Richard Beanland, Rudolf A. Römer
We show how generative machine learning can be used for the rapid computation of strongly dynamical electron diffraction directly from crystal structures, specifically in large-ang…