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Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr0.5Ca0.5MnO3 powder

  • Kenneth R. Beyerlein (a1), Christian Jooss (a2), Anton Barty (a1), Richard Bean (a1), Sébastien Boutet (a3), Sarnjeet S. Dhesi (a4), R. Bruce Doak (a5), Michael Först (a6), Lorenzo Galli (a1) (a7), Richard A. Kirian (a1), Joseph Kozak (a8), Michael Lang (a2), Roman Mankowsky (a6), Marc Messerschmidt (a3), John C. H. Spence (a5), Dingjie Wang (a5), Uwe Weierstall (a5), Thomas A. White (a1), Garth J. Williams (a3), Oleksandr Yefanov (a1), Nadia A. Zatsepin (a5), Andrea Cavalleri (a6) (a7) and Henry N. Chapman (a1) (a7) (a9)...

Abstract

We report on the analysis of virtual powder-diffraction patterns from serial femtosecond crystallography (SFX) data collected at an X-ray free-electron laser. Different approaches to binning and normalizing these patterns are discussed with respect to the microstructural characteristics which each highlights. Analysis of SFX data from a powder of Pr0.5Ca0.5MnO3 in this way finds evidence of other trace phases in its microstructure which was not detectable in a standard powder-diffraction measurement. Furthermore, a comparison between two virtual powder pattern integration strategies is shown to yield different diffraction peak broadening, indicating sensitivity to different types of microstrain. This paper is a first step in developing new data analysis methods for microstructure characterization from serial crystallography data.

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Corresponding author

a) Author to whom correspondence should be addressed. Electronic mail: kenneth.beyerlein@cfel.de

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Powder Diffraction
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