Analysis demonstrates site occupancy of dopants in crystal structures using core-loss-filtered patterns, suggesting enhanced measurement precision through simulation.
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.
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Deimetry et al. (2025) studied this question.
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