Extracting accurate PDF data from in situ environment of materials using X-ray diffractometer

Pair distribution function (PDF) analysis is a technique traditionally used at synchrotron radiation facilities, but it is now possible to obtain adequate measurements using laboratory-based equipment as well. In addition, cryo-furnaces that enable in situ measurements while controlling temperature have been well established for some time. PDF analysis requires data from a wide range of reciprocal space, along with measurements at short wavelengths. However, the development of time-resolved PDF measurements, which can be captured within a short time span, has also made significant progress. In this study, we demonstrate the reliability of PDF measurements using laboratory equipment and perform a local structure analysis of materials exhibiting an interesting structural phase transition in LaCu<sub>6-x</sub>Ag<sub>x</sub> through temperature-dependent in situ PDF analysis. By comparing these results with those obtained from synchrotron sources, we provide further validation of the laboratory-based measurements. Our results confirm that in situ PDF measurements obtained with laboratory-based equipment are reliable and effective for studying structural disorder in various materials.

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Publication Details

Journal
Analytical Sciences
Published
2025-02-13
DOI
https://doi.org/10.1007/s44211-025-00728-6
Citations
2
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
1.04

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article

Extracting accurate PDF data from in situ environment of materials using X-ray diffractometer

Yuji Shiramata, Hiroki Yamada, Satoshi Hiroi, Koji Ohara et al.
2 citations
Analytical Sciences
X-ray Diffraction in Crystallography
1.04
article

Extracting accurate PDF data from in situ environment of materials using X-ray diffractometer

Yuji Shiramata, Hiroki Yamada, Satoshi Hiroi, Koji Ohara, Yui Ishii, Takayuki Konya, Kentaro Kobayashi
article en
2 citations

Abstract

Pair distribution function (PDF) analysis is a technique traditionally used at synchrotron radiation facilities, but it is now possible to obtain adequate measurements using laboratory-based equipment as well. In addition, cryo-furnaces that enable in situ measurements while controlling temperature have been well established for some time. PDF analysis requires data from a wide range of reciprocal space, along with measurements at short wavelengths. However, the development of time-resolved PDF measurements, which can be captured within a short time span, has also made significant progress. In this study, we demonstrate the reliability of PDF measurements using laboratory equipment and perform a local structure analysis of materials exhibiting an interesting structural phase transition in LaCu<sub>6-x</sub>Ag<sub>x</sub> through temperature-dependent in situ PDF analysis. By comparing these results with those obtained from synchrotron sources, we provide further validation of the laboratory-based measurements. Our results confirm that in situ PDF measurements obtained with laboratory-based equipment are reliable and effective for studying structural disorder in various materials.

Analytical SciencesVol. 41(6)
Shimane University (JP), Japan Synchrotron Radiation Research Institute (JP), Rigaku (Japan) (JP), Seikagaku Corporation (Japan) (JP)
Japan Society for the Promotion of Science London, Shimane University
Openalex Percentile: Top 28%
X-ray Diffraction in Crystallography
1.04
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Extracting accurate PDF data from in situ environment of materials using X-ray diffractometer — Yuji Shiramata, Hiroki Yamada, et al. · Analytical Sciences (2025) | TGRS Research Map | TGRS