Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

Harouna-Mayer, Sani Y.; Tao, Songsheng; Gong, ZiZhou; v. Zimmermann, Martin; Koziej, Dorota; Dippel, Ann-Christin; Billinge, Simon J. L.

doi:10.1107/S2052252522006674

Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

Journal Article · Tue Jul 19 00:00:00 EDT 2022 · IUCrJ

DOI:https://doi.org/10.1107/S2052252522006674· OSTI ID:1876469

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An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI , is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: German Federal Ministry of Education and Research (BMBF); German Research Foundation (DFG); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012704

OSTI ID:: 1876469

Alternate ID(s):: OSTI ID: 1893741

Report Number(s):: BNL-223594-2022-JAAM; PII: S2052252522006674

Journal Information:: IUCrJ, Journal Name: IUCrJ Journal Issue: 5 Vol. 9; ISSN 2052-2525; ISSN IUCRAJ

Publisher:: International Union of Crystallography (IUCr)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

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