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

Author:

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

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.

Publisher

Cambridge University Press (CUP)

Subject

Condensed Matter Physics,Instrumentation,General Materials Science,Radiation

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