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

Published online by Cambridge University Press:  17 November 2014

Kenneth R. Beyerlein*
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Christian Jooss
Affiliation:
Institute of Materials Physics, University of Göttingen, Friedrich-Hund-Platz 1, 37085 Göttingen, Germany
Anton Barty
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Richard Bean
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Sébastien Boutet
Affiliation:
Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025
Sarnjeet S. Dhesi
Affiliation:
Diamond Light Source, OX11 0DE Oxfordshire, United Kingdom
R. Bruce Doak
Affiliation:
Department of Physics, Arizona State University, Tempe, Arizona 85287-1504
Michael Först
Affiliation:
Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany
Lorenzo Galli
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany Department of Physics, University of Hamburg, Jungiusstr. 6, 20355 Hamburg, Germany
Richard A. Kirian
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Joseph Kozak
Affiliation:
Swanson School of Engineering, University of Pittsburgh, 3700 O'Hara Street, Pittsburgh, Pennsylvania 15261
Michael Lang
Affiliation:
Institute of Materials Physics, University of Göttingen, Friedrich-Hund-Platz 1, 37085 Göttingen, Germany
Roman Mankowsky
Affiliation:
Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany
Marc Messerschmidt
Affiliation:
Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025
John C. H. Spence
Affiliation:
Department of Physics, Arizona State University, Tempe, Arizona 85287-1504
Dingjie Wang
Affiliation:
Department of Physics, Arizona State University, Tempe, Arizona 85287-1504
Uwe Weierstall
Affiliation:
Department of Physics, Arizona State University, Tempe, Arizona 85287-1504
Thomas A. White
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Garth J. Williams
Affiliation:
Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025
Oleksandr Yefanov
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Nadia A. Zatsepin
Affiliation:
Department of Physics, Arizona State University, Tempe, Arizona 85287-1504
Andrea Cavalleri
Affiliation:
Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany Department of Physics, University of Hamburg, Jungiusstr. 6, 20355 Hamburg, Germany
Henry N. Chapman
Affiliation:
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany Department of Physics, University of Hamburg, Jungiusstr. 6, 20355 Hamburg, Germany Centre for Ultrafast Imaging, Luruper Chaussee 149, 22607 Hamburg, Germany
*
a) Author to whom correspondence should be addressed. Electronic mail: kenneth.beyerlein@cfel.de

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.

Type
Technical Articles
Copyright
Copyright © International Centre for Diffraction Data 2014 

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