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<p>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-<i>x</i></sub>Ag<sub><i>x</i></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.</p> Graphical abstract <p></p>

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

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年2月13日

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  • Yuji Shiramata,
  • Takayuki Konya,
  • Kentaro Kobayashi,
  • Yui Ishii,
  • Satoshi Hiroi,
  • Hiroki Yamada,
  • Koji Ohara

摘要

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 LaCu6-xAgx 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.

Graphical abstract