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

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_6-xAg_x 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.