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一种通过掠入射X射线衍射对薄膜进行定量取向和相分数分析的系统方法。

A systematic approach for quantitative orientation and phase fraction analysis of thin films through grazing-incidence X-ray diffraction.

作者信息

Gasser Fabian, John Sanjay, Smets Jorid, Simbrunner Josef, Fratschko Mario, Rubio-Giménez Víctor, Ameloot Rob, Steinrück Hans-Georg, Resel Roland

机构信息

Institute of Solid State Physics Graz University of Technology Petersgasse 16 8010Graz Austria.

Center for Membrane Separations, Adsorption, Catalysis and Spectroscopy (cMACS) KU Leuven Celestijnenlaan 200f 3001Leuven Belgium.

出版信息

J Appl Crystallogr. 2025 Jul 22;58(Pt 4):1288-1298. doi: 10.1107/S1600576725004935. eCollection 2025 Aug 1.

DOI:10.1107/S1600576725004935
PMID:40765963
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12321010/
Abstract

Grazing-incidence X-ray diffraction (GIXD) is widely used for the structural characterization of thin films, particularly for analyzing phase composition and the orientation distribution of crystallites. While various tools exist for qualitative evaluation, a widely applicable systematic procedure to obtain quantitative information has not yet been developed. This work presents a first step in that direction, allowing accurate quantitative information to be obtained through the evaluation of radial line profiles from GIXD data. An algorithm is introduced for computing radial line profiles based on the crystal structure of known compounds. By fitting experimental data with calculated line profiles, accurate quantitative information about orientation distribution and phase composition is obtained, along with additional parameters such as mosaicity and total crystal volume. The approach is demonstrated using three distinct thin film systems, highlighting the broad applicability of the algorithm. This method provides a systematic and general approach to obtaining quantitative information from GIXD data.

摘要

掠入射X射线衍射(GIXD)被广泛用于薄膜的结构表征,特别是用于分析相组成和微晶的取向分布。虽然存在各种用于定性评估的工具,但尚未开发出一种广泛适用的获取定量信息的系统程序。这项工作朝着这个方向迈出了第一步,通过评估GIXD数据的径向线轮廓来获得准确的定量信息。引入了一种基于已知化合物晶体结构计算径向线轮廓的算法。通过将实验数据与计算出的线轮廓进行拟合,可以获得关于取向分布和相组成的准确定量信息,以及诸如镶嵌性和总晶体体积等附加参数。使用三个不同的薄膜系统对该方法进行了演示,突出了该算法的广泛适用性。该方法提供了一种从GIXD数据中获取定量信息的系统通用方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/e4e0e5a020b8/j-58-01288-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/4fd83fff87d3/j-58-01288-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/b9237ad1839d/j-58-01288-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/edab6a2c8b72/j-58-01288-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/d09c1f153207/j-58-01288-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/3e84e21501e3/j-58-01288-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/e4e0e5a020b8/j-58-01288-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/4fd83fff87d3/j-58-01288-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/b9237ad1839d/j-58-01288-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/edab6a2c8b72/j-58-01288-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/d09c1f153207/j-58-01288-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/3e84e21501e3/j-58-01288-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d0b/12321010/e4e0e5a020b8/j-58-01288-fig6.jpg

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