Rapid Acquisition Pair Distribution Function (RA-PDF) Analysis
Peter J. Chupas, Xiangyun Qiu, Jonathan C. Hanson, Peter L. Lee, Clare, P. Grey, Simon J. L. Billinge

TL;DR
This paper introduces a rapid, high-quality atomic pair distribution function analysis method using synchrotron radiation and an image plate detector, enabling quick structural characterization of crystalline materials.
Contribution
It demonstrates a fast, reliable PDF analysis technique with high momentum transfer and reproducible results across different crystalline materials.
Findings
High-quality PDFs obtained within seconds to minutes.
Structural models consistent with literature.
Reproducible data sets across samples.
Abstract
An image plate (IP) detector coupled with high energy synchrotron radiation was used for atomic pair distribution function (PDF) analysis, with high probed momentum transfer \Qmax \RAA from crystalline materials. Materials with different structural complexities were measured to test the validity of the quantitative data analysis. Experimental results are presented here for crystalline Ni, crystalline \alf, and the layered Aurivillius type oxides \bivo and \bivtio . Overall, the diffraction patterns show good counting statistics with measuring time from one to tens of seconds. The PDFs obtained are of high quality. Structures may be refined from these PDFs, and the structural models are consistent with the published literature. Data sets from similar samples are highly reproducible.
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Taxonomy
TopicsX-ray Diffraction in Crystallography · X-ray Spectroscopy and Fluorescence Analysis · Machine Learning in Materials Science
