Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr

Kenneth R. Beyerlein, Christian Jooss, Anton Barty, Richard Bean, Sébastien Boutet, Sarnjeet S. Dhesi, R. Bruce Doak, Michael Först, Lorenzo Galli, Richard Kirian, Joseph Kozak, Michael Lang, Roman Mankowsky, Marc Messerschmidt, John Spence, Dingjie Wang, Uwe Weierstall, Thomas A. White, Garth J. Williams, Oleksandr YefanovNadia Zatsepin, Andrea Cavalleri, Henry N. Chapman

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
JournalPowder Diffraction
Volume761
DOIs
StatePublished - Nov 17 2014

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Keywords

  • Key words nanocrystalline materials
  • X-ray free-electron lasers
  • manganite
  • quantitative phase analysis
  • serial crystallography
  • strain characterization
  • trace phase detection

ASJC Scopus subject areas

  • Radiation
  • Materials Science(all)
  • Instrumentation
  • Condensed Matter Physics

Cite this

Beyerlein, K. R., Jooss, C., Barty, A., Bean, R., Boutet, S., Dhesi, S. S., Doak, R. B., Först, M., Galli, L., Kirian, R., Kozak, J., Lang, M., Mankowsky, R., Messerschmidt, M., Spence, J., Wang, D., Weierstall, U., White, T. A., Williams, G. J., ... Chapman, H. N. (2014). Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr. Powder Diffraction, 761. https://doi.org/10.1017/S0885715614001171