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arXiv · 2503.20625

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

Fabian Gasser·Sanjay John·Jorid Smets·Josef Simbrunner·Mario Fratschko·Víctor Rubio-Giménez·Rob Ameloot·Hans-Georg Steinrück·Roland Resel
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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 achieve quantitative information has not yet been developed. This work presents a first step in that direction, allowing accurate quantitative information to be achieved 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.

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Fabian Gasser, Sanjay John, Jorid Smets, Josef Simbrunner, Mario Fratschko, Víctor Rubio-Giménez, Rob Ameloot, Hans-Georg Steinrück, Roland Resel. 2025-03-26. A systematic approach for quantitative orientation and phase fraction analysis of thin films through grazing incidence X-ray diffraction. https://doi.org/10.1107/s1600576725004935

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