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Figure 4
The recovered pattern from crystals with partial unit cells. The fractions of partial unit cell occupied boundary layer are 0.1, 0.3, 0.5, 0.7, 0.9 for (b)-(f), correspondingly. The R factor as a function of the number of diffraction patterns is shown in (a) for all five cases with the fraction of partial unit cells indicated. The recovered patterns shown in (b) and (c) are consistent with the default unit-cell scattering pattern, while the patterns shown in (e) and (f) are more similar to the scattering pattern of the alternative unit cell. The pattern shown in (d) is a superposition of the patterns, as the partial unit cells cover half of the crystal boundary.

ISSN: 2052-2525