Extended Data Figure 4: Validating the measured atomic model using multislice STEM simulations. | Nature

Extended Data Figure 4: Validating the measured atomic model using multislice STEM simulations.

From: Deciphering chemical order/disorder and material properties at the single-atom level

Extended Data Figure 4

a, b, Comparison between the experimental (a) and multislice ADF-STEM simulation (b) images at 0° tilt. The multislice image was convolved with a Gaussian function to account for the source size and other incoherent effects. Poisson-Gaussian noise was then added to the multislice image. c, Line-cut of (a) and (b) along the dashed rectangle in a, showing good agreement between the experimental and multislice images. Note that a slight in-plane rotation was applied to the images to make horizontal line-cuts for a quantitative comparison. d, Histogram of the difference (deviation) in atomic positions between the experimental atomic model and that obtained from 68 multislice images. 99.0% of the atoms were correctly identified with a root-mean-square deviation of 22 pm.

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