Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors

Grazing-incidence X-ray diffraction (GIXD) is the technique of choice for obtaining crystallographic information from thin films. An essential step in the evaluation of GIXD data is the extraction of peak intensities, as they are directly linked to the positions of individual atoms within the crystal unit cell. In order to obtain reliable intensities independent of the experimental setup, a variety of correction factors need to be applied to measured GIXD raw data. These include the polarization of the incident beam, solid-angle variations, absorption effects, the transmission coefficient and the Lorentz correction. The aim of this work is to provide a systematic compilation of these intensity corrections required for state-of-the-art GIXD setups with static area detectors. In a first step, analytical formulae are derived on the basis of theoretical considerations. The obtained intensity corrections are then applied to measured GIXD raw data from samples with different textures, including a single crystal and thin films containing either randomly distributed or oriented crystallites. By taking advantage of the symmetries inherent in the different types of textures, integrated peak intensities are determined, and these are compared with intensities calculated from single-crystal diffraction data from the literature. Accurate intensity corrections promise an improved quality of crystal structure solution from thin films and contribute to achieving accurate phase and texture quantifications from GIXD measurements.

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Publication Details

Journal
Journal of Applied Crystallography
Published
2024-12-24
DOI
https://doi.org/10.1107/s1600576724010628
Citations
5
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
0.59

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article

Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors

F Gasser, Marten Huck, Josef Simbrunner, Roland Resel et al.
5 citations
Journal of Applied Crystallography
X-ray Diffraction in Crystallography
0.59
article

Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors

F Gasser, Marten Huck, Josef Simbrunner, Roland Resel, Armin Moser, Hans‐Georg Steinrück
article en
5 citations

Abstract

Grazing-incidence X-ray diffraction (GIXD) is the technique of choice for obtaining crystallographic information from thin films. An essential step in the evaluation of GIXD data is the extraction of peak intensities, as they are directly linked to the positions of individual atoms within the crystal unit cell. In order to obtain reliable intensities independent of the experimental setup, a variety of correction factors need to be applied to measured GIXD raw data. These include the polarization of the incident beam, solid-angle variations, absorption effects, the transmission coefficient and the Lorentz correction. The aim of this work is to provide a systematic compilation of these intensity corrections required for state-of-the-art GIXD setups with static area detectors. In a first step, analytical formulae are derived on the basis of theoretical considerations. The obtained intensity corrections are then applied to measured GIXD raw data from samples with different textures, including a single crystal and thin films containing either randomly distributed or oriented crystallites. By taking advantage of the symmetries inherent in the different types of textures, integrated peak intensities are determined, and these are compared with intensities calculated from single-crystal diffraction data from the literature. Accurate intensity corrections promise an improved quality of crystal structure solution from thin films and contribute to achieving accurate phase and texture quantifications from GIXD measurements.

Journal of Applied CrystallographyVol. 58(1)
Forschungszentrum Jülich (DE), Medical University of Graz (AT), Paderborn University (DE), Graz University of Technology (AT), Anton Paar (Austria) (AT), RWTH Aachen University (DE)
Elettra-Sincrotrone Trieste, Bundesministerium für Bildung und Forschung, Austrian Science Fund
Openalex Percentile: Top 32%
X-ray Diffraction in Crystallography
0.59
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