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. 2021 May 21;1:24. Originally published 2021 Mar 24. [Version 2] doi: 10.12688/openreseurope.13015.2

Figure 2. Comparison of independent atom model (IAM) and density functional theory (DFT) scattering potentials for hBN.

Figure 2.

Annular dark-field (ADF) images based on the ( a) IAM and ( b) DFT, with ( c) line profiles plotted over the N and B sites. ( d, e) Corresponding bright-field (BF) images and ( f) line profiles. ( g, h) Corresponding electron diffraction (ED) patterns displayed on a logarithmic scale derived from tiled images, and ( i) line profiles through the first two diffraction orders. While the ADF contrast is nearly completely insensitive to valence bonding, both BF contrast (see Ref. 2 for an experimental measurement) and the ED intensities (see Ref. 6 for an experimental measurement) do show a marked difference due to charge redistribution in this highly ionic compound that is not described by the IAM.