Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film.
IUCrJ
; 9(Pt 5): 594-603, 2022 Sep 01.
Article
em En
| MEDLINE
| ID: mdl-36071809
ABSTRACT
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 â¸). arXiv1805.10342 [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 â¼10°. 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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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
IUCrJ
Ano de publicação:
2022
Tipo de documento:
Article
País de afiliação:
Alemanha