Abstract
Ideal order is just a mathematical concept and cannot exist in real crystals, be they periodic or quasiperiodic. Consequently, in diffraction experiments on real crystals of any kind, structural diffuse scattering will always be observed additionally to Bragg peaks. Thus, structural diffuse scattering (diffuse scattering of other origin such as defects will not be discussed here) indicates nonperiodic deviations from nD translational symmetry of a structure. The interpretation of disorder diffuse scattering and its quantitative modeling is still not as straightforward as the solution of the average structure based on Bragg reflections. We discuss the power of the 3D pair distribution function, i.e., the density-weighted probability distribution function that two atoms are separated by a given vector, for obtaining information on structural disorder based either on phason diffuse scattering or on general displacive and/or substitutional disorder.
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Steurer, W., Deloudi, S. (2009). Diffuse Scattering and Disorder. In: Crystallography of Quasicrystals. Springer Series in Materials Science, vol 126. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-01899-2_6
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DOI: https://doi.org/10.1007/978-3-642-01899-2_6
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