3D atomic structure from a single X-ray free electron laser pulse

Gábor Bortel (), Miklós Tegze, Marcin Sikorski, Richard Bean, Johan Bielecki, Chan Kim, Jayanath C. P. Koliyadu, Faisal H. M. Koua, Marco Ramilli, Adam Round, Tokushi Sato, Dmitrii Zabelskii and Gyula Faigel ()
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Gábor Bortel: Institute for Solid State Physics and Optics
Miklós Tegze: Institute for Solid State Physics and Optics
Marcin Sikorski: European XFEL GmbH
Richard Bean: European XFEL GmbH
Johan Bielecki: European XFEL GmbH
Chan Kim: European XFEL GmbH
Jayanath C. P. Koliyadu: European XFEL GmbH
Faisal H. M. Koua: European XFEL GmbH
Marco Ramilli: European XFEL GmbH
Adam Round: European XFEL GmbH
Tokushi Sato: European XFEL GmbH
Dmitrii Zabelskii: European XFEL GmbH
Gyula Faigel: Institute for Solid State Physics and Optics

Nature Communications, 2024, vol. 15, issue 1, 1-7

Abstract: Abstract X-ray Free Electron Lasers (XFEL) are cutting-edge pulsed x-ray sources, whose extraordinary pulse parameters promise to unlock unique applications. Several new methods have been developed at XFELs; however, no methods are known, which allow ab initio atomic level structure determination using only a single XFEL pulse. Here, we present experimental results, demonstrating the determination of the 3D atomic structure from data obtained during a single 25 fs XFEL pulse. Parallel measurement of hundreds of Bragg reflections was done by collecting Kossel line patterns of GaAs and GaP. To the best of our knowledge with these measurements, we reached the ultimate temporal limit of the x-ray structure solution possible today. These measurements open the way for obtaining crystalline structures during non-repeatable fast processes, such as structural transformations. For example, the atomic structure of matter at extremely non-ambient conditions or transient structures formed in irreversible physical, chemical, or biological processes may be captured in a single shot measurement during the transformation. It would also facilitate time resolved pump-probe structural studies making them significantly shorter than traditional serial crystallography.

Date: 2024
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DOI: 10.1038/s41467-024-45229-8

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