期刊
IUCRJ
卷 1, 期 -, 页码 550-562出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S205225251402065X
关键词
single-crystal diffuse scattering; disorder; synchrotron light sources
资金
- Australian Research Council
- US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
The study of single-crystal diffuse scattering (SCDS) goes back almost to the beginnings of X-ray crystallography. Because SCDS arises from two-body correlations, it contains information about local (short-range) ordering in the sample, information which is often crucial in the attempt to relate structure to function. This review discusses the state of the field, including detectors and data collection and the modelling of SCDS using Monte Carlo and ab initio techniques. High-quality, three-dimensional volumes of SCDS data can now be collected at synchrotron light sources, allowing ever more detailed and quantitative analyses to be undertaken, and opening the way to approaches such as three-dimensional pair distribution function studies (3D-PDF) and automated refinement of a disorder model, powerful techniques that require large volumes of low-noise data.
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