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Figure 4
Compositional variation of the diffuse scattering width, determined using Lorentzian fits to the W–Δ–W scattering profiles calculated from our Monte Carlo configurations (short-range order parameter α = 0.7, red symbols) compared with the experimental data given in Fig. 1[link](f) (black symbols). The curves are error-weighted empirical fits of the form f(x) = (ax + b) + c[x(1 − x)], where the linear term represents a virtual-crystal (mean-field) contribution, and the binomial term captures the deviation that results from inhomogeneous mixing. The key result is that both experiment and calculation indicate broadened diffuse scattering features at intermediate compositions.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 78| Part 3| June 2022| Pages 385-391
https://doi.org/10.1107/S2052520622003560
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