Surface-driven size scaling of the lattice parameter, Debye–Waller coefficient and microstrain in nanocrystals

Subbareddy, S.; Agnolin, E.; Malagutti, M.A.; Ataollahi, N.; Dinnebier, R.; Scardi, P.

doi:10.1107/S2053273326007345

Acta Crystallographica Section A
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Figure 5
Variation of structural parameters – lattice parameter, DW coefficient and microstrain – with crystallite size in simulated nanocrystals of Pd, Fe and Ti. Data from XRD powder patterns simulated with DSE using MD results (dots) and nanoscale models described in Section 4

(line). For Ti, dashed line for c axis, full line for a axis of the h.c.p. unit cell.

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ISSN: 2053-2733

Volume 82| Part 5| September 2026|

https://doi.org/10.1107/S2053273326007345

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