Real space texture and pole figure analysis using the three-dimensional pair distribution function (PDF) on a Platinum thin film

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

doi:10.48550/arxiv.2201.03440

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2023

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“…The 3D PDF is calculated by 3D Fourier transform of the 3D total-scattering data (Egami & Billinge, 2003;Harouna-Mayer et al, 2022;Gong & Billinge, 2018),…”

Section: Theorymentioning

confidence: 99%

A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions

Zhang¹,

Liu²,

Lin³

et al. 2023

J Appl Cryst

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In this work, a general spherical harmonics method for the extraction of anisotropic pair distribution functions (PDFs) is described. In the structural study of functional crystallized materials, there is an urgent need for investigation of local structures under the application of external stimuli, such as an electric field and stress. A well established technique for local structural studies is PDF analysis, but the extraction of X-ray PDF data is usually based on angular integrations of isotropic X-ray structure functions, which is no longer valid for the anisotropic responses of materials under orientation-dependent stimuli. Therefore, an advanced spherical harmonics method has been developed, to transform 2D X-ray total-scattering data into anisotropic PDF data on the basis of the 3D diffraction geometry and a Fourier transform. The electric-field-induced local structural change in PbZr0.54Ti0.46O3 ceramics is presented to demonstrate the effectiveness of this method.

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“…The 3D PDF is calculated by 3D Fourier transform of the 3D total-scattering data (Egami & Billinge, 2003;Harouna-Mayer et al, 2022;Gong & Billinge, 2018),…”

Section: Theorymentioning

confidence: 99%

A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions

Zhang¹,

Liu²,

Lin³

et al. 2023

J Appl Cryst

View full text Add to dashboard Cite

show abstract

Real space texture and pole figure analysis using the three-dimensional pair distribution function (PDF) on a Platinum thin film

Abstract: An approach is described for studying texture in nanostructured materials. The approach implements the real space texture PDF, txPDF, laid out in [Gong and Billinge (2018) arXiv:1805.10342 [cond-mat]]. It is demonstrated on a fiber textured polycrystalline Pt

Cited by 1 publication

References 19 publications

A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions

A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions

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