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High-energy x-ray diffraction from surfaces and nanoparticles

Hejral, U. LU ; Müller, P.; Shipilin, M. LU ; Gustafson, J. LU ; Franz, D.; Shayduk, R.; Rütt, U.; Zhang, C. LU ; Merte, L. R. LU and Lundgren, E. LU , et al. (2017) In Physical Review B 96(19).
Abstract

High-energy surface-sensitive x-ray diffraction (HESXRD) is a powerful high-energy photon technique (E > 70 keV) that has in recent years proven to allow a fast data acquisition for the 3D structure determination of surfaces and nanoparticles under in situ and operando conditions. The use of a large-area detector facilitates the direct collection of nearly distortion-free diffraction patterns over a wide q range, including crystal truncation rods perpendicular to the surface and large-area reciprocal space maps from epitaxial nanoparticles, which is not possible in the conventional low-photon energy approach (E=10-20keV). Here, we present a comprehensive mathematical approach, explaining the working principle of HESXRD for both... (More)

High-energy surface-sensitive x-ray diffraction (HESXRD) is a powerful high-energy photon technique (E > 70 keV) that has in recent years proven to allow a fast data acquisition for the 3D structure determination of surfaces and nanoparticles under in situ and operando conditions. The use of a large-area detector facilitates the direct collection of nearly distortion-free diffraction patterns over a wide q range, including crystal truncation rods perpendicular to the surface and large-area reciprocal space maps from epitaxial nanoparticles, which is not possible in the conventional low-photon energy approach (E=10-20keV). Here, we present a comprehensive mathematical approach, explaining the working principle of HESXRD for both single-crystal surfaces and epitaxial nanostructures on single-crystal supports. The angular calculations used in conventional crystal truncation rod measurements at low-photon energies are adopted for the high-photon-energy regime, illustrating why and to which extent large reciprocal-space areas can be probed in stationary geometry with fixed sample rotation. We discuss how imperfections such as mosaicity and finite domain size aid in sampling a substantial part of reciprocal space without the need of rotating the sample. An exact account is given of the area probed in reciprocal space using such a stationary mode, which is essential for in situ or operando time-resolved experiments on surfaces and nanostructures.

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publication status
published
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in
Physical Review B
volume
96
issue
19
publisher
American Physical Society
external identifiers
  • scopus:85038849478
  • wos:000416235500017
ISSN
2469-9950
DOI
10.1103/PhysRevB.96.195433
language
English
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yes
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9df687f7-d2bc-4cd7-b700-7af19c732886
date added to LUP
2018-01-04 10:07:00
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2018-01-16 13:29:08
@article{9df687f7-d2bc-4cd7-b700-7af19c732886,
  abstract     = {<p>High-energy surface-sensitive x-ray diffraction (HESXRD) is a powerful high-energy photon technique (E &gt; 70 keV) that has in recent years proven to allow a fast data acquisition for the 3D structure determination of surfaces and nanoparticles under in situ and operando conditions. The use of a large-area detector facilitates the direct collection of nearly distortion-free diffraction patterns over a wide q range, including crystal truncation rods perpendicular to the surface and large-area reciprocal space maps from epitaxial nanoparticles, which is not possible in the conventional low-photon energy approach (E=10-20keV). Here, we present a comprehensive mathematical approach, explaining the working principle of HESXRD for both single-crystal surfaces and epitaxial nanostructures on single-crystal supports. The angular calculations used in conventional crystal truncation rod measurements at low-photon energies are adopted for the high-photon-energy regime, illustrating why and to which extent large reciprocal-space areas can be probed in stationary geometry with fixed sample rotation. We discuss how imperfections such as mosaicity and finite domain size aid in sampling a substantial part of reciprocal space without the need of rotating the sample. An exact account is given of the area probed in reciprocal space using such a stationary mode, which is essential for in situ or operando time-resolved experiments on surfaces and nanostructures.</p>},
  articleno    = {195433},
  author       = {Hejral, U. and Müller, P. and Shipilin, M. and Gustafson, J. and Franz, D. and Shayduk, R. and Rütt, U. and Zhang, C. and Merte, L. R. and Lundgren, E. and Vonk, V. and Stierle, A.},
  issn         = {2469-9950},
  language     = {eng},
  month        = {11},
  number       = {19},
  publisher    = {American Physical Society},
  series       = {Physical Review B},
  title        = {High-energy x-ray diffraction from surfaces and nanoparticles},
  url          = {http://dx.doi.org/10.1103/PhysRevB.96.195433},
  volume       = {96},
  year         = {2017},
}