Dopant site occupancy determined by core-loss-filtered, position-averaged convergent beam electron diffraction
Abstract
In the elastic scattering regime, probe position-averaged convergent beam electron diffraction (PACBED) patterns have proven robust for estimating specimen thickness and mistilt. Through simulation, we show that core-loss-filtered PACBED patterns can be used to measure the site occupancy of a small concentration of dopants in an otherwise known crystal structure. By leveraging the reciprocity between scanning and conventional transmission electron microscopy, we interpret core-loss PACBED patterns using a strategy traditionally used for determining dopant concentrations via energy dispersive X-ray spectroscopy. We show that differences in the interaction range of different elements hinder a purely measurement-based quantification strategy, but that this can be overcome through comparison with simulations that generalize the Cliff-Lorimer k-factors.
Cite
@article{arxiv.2508.12532,
title = {Dopant site occupancy determined by core-loss-filtered, position-averaged convergent beam electron diffraction},
author = {Michael Deimetry and Timothy C. Petersen and Matthew Weyland and Scott D. Findlay},
journal= {arXiv preprint arXiv:2508.12532},
year = {2025}
}