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

被引:1
|
作者
Gasser, Fabian [1 ]
Simbrunner, Josef [2 ]
Huck, Marten [3 ,4 ,5 ]
Moser, Armin [6 ]
Steinrueck, Hans-Georg [3 ,4 ,5 ]
Resel, Roland [1 ]
机构
[1] Graz Univ Technol, Inst Solid State Phys, Petersgasse 16, A-8010 Graz, Austria
[2] Med Univ Graz, Dept Neuroradiol Vasc & Intervent Radiol, Auenbruggerpl 9, A-8036 Graz, Austria
[3] Forschungszentrum Julich, Inst Sustainable Hydrogen Econ INW, Marie Curie Str 5, D-52428 Julich, Germany
[4] Rhein Westfal TH Aachen, Inst Phys Chem, Landoltweg 2, D-52074 Aachen, Germany
[5] Paderborn Univ, Dept Chem, Warburger Str 100, D-33098 Paderborn, Germany
[6] Anton Paar GmbH, Anton Paar Str 20, A-8054 Graz, Austria
来源
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2025年 / 58卷
基金
奥地利科学基金会;
关键词
grazing-incidence X-ray diffraction; GIXD; intensity corrections; crystal structure solution; thin films; SYNCHROTRON-RADIATION; ANGLE CALCULATIONS; SCATTERING; CRYSTALLOGRAPHY; PROGRAM; ROD;
D O I
10.1107/S1600576724010628
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:96 / 106
页数:11
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