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

Beyerlein, K. R.; Jooss, C.; Barty, A.; Bean, R.; Boutet, S.; Dhesi, S. S.; Doak, R. B.; Först, M.; Galli, L.; Kirian, R. A.; Kozak, J.; Lang, M.; Mankowsky, R.; Messerschmidt, M.; Spence, J. C. H.; Wang, D.; Weierstall, U.; White, T. A.; Williams, G. J.; Yefanov, O.; Zatsepin, N. A.; Cavalleri, A.; Chapman, H. N.

doi:10.1017/S0885715614001171

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Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr_0.5Ca_0.5MnO₃ powder

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Först, M.
Quantum Condensed Matter Dynamics, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Mankowsky, R.
Quantum Condensed Matter Dynamics, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Cavalleri, A.
Quantum Condensed Matter Dynamics, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Department of Physics, University of Hamburg, Jungiusstr. 6, 20355 Hamburg, Germany ;

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https://dx.doi.org/10.1017/S0885715614001171
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Citation

Beyerlein, K. R., Jooss, C., Barty, A., Bean, R., Boutet, S., Dhesi, S. S., et al. (2015). Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr_0.5Ca_0.5MnO₃ powder. Powder Diffraction, 30(S1), 25-30. doi:10.1017/S0885715614001171.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0024-C311-B

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 Pr_0.5Ca_0.5MnO₃ 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.