Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals
Abstract
Bragg coherent diffractive imaging (BCDI) is a noninvasive microscopy technique that can visualize the shape and internal lattice deviations of crystals with nanoscale spatial resolution and picometer deformation sensitivity. Its strain imaging capability relies on Fourier transform–based iterative phase retrieval algorithms, which are mostly developed under the kinematical approximation. Such approximation prohibits the application of BCDI on larger crystals, which are commonly seen in most emerging functional materials. Understanding the dynamical effect in BCDI, as well as developing a validated method for modeling BCDI at the dynamical diffraction limit, is crucial for applying BCDI to hierarchical systems that contain micron-sized crystals and grains. Thus we report a comparative study on the impact of dynamical diffraction effects by comparing the reconstruction results from two measurements of the same crystal. Forward simulation is implemented to show subtle changes of interference fringes in the diffraction pattern due to the dynamical diffraction, and is compared directly with the experimental data.
- Authors:
-
- Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
- Argonne National Laboratory (ANL), Lemont, IL (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1961776
- Alternate Identifier(s):
- OSTI ID: 1901452
- Report Number(s):
- BNL-224117-2023-JAAM
Journal ID: ISSN 2469-9950; TRN: US2313037
- Grant/Contract Number:
- SC0012704; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B
- Additional Journal Information:
- Journal Volume: 106; Journal Issue: 18; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; crystal structures; coherent x-ray scattering; x-ray diffraction; x-ray imaging
Citation Formats
Gao, Yuan, Huang, Xiaojing, Harder, Ross, Cha, Wonsuk, Williams, Garth J., and Yan, Hanfei. Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals. United States: N. p., 2022.
Web. doi:10.1103/physrevb.106.184111.
Gao, Yuan, Huang, Xiaojing, Harder, Ross, Cha, Wonsuk, Williams, Garth J., & Yan, Hanfei. Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals. United States. https://doi.org/10.1103/physrevb.106.184111
Gao, Yuan, Huang, Xiaojing, Harder, Ross, Cha, Wonsuk, Williams, Garth J., and Yan, Hanfei. Wed .
"Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals". United States. https://doi.org/10.1103/physrevb.106.184111. https://www.osti.gov/servlets/purl/1961776.
@article{osti_1961776,
title = {Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals},
author = {Gao, Yuan and Huang, Xiaojing and Harder, Ross and Cha, Wonsuk and Williams, Garth J. and Yan, Hanfei},
abstractNote = {Bragg coherent diffractive imaging (BCDI) is a noninvasive microscopy technique that can visualize the shape and internal lattice deviations of crystals with nanoscale spatial resolution and picometer deformation sensitivity. Its strain imaging capability relies on Fourier transform–based iterative phase retrieval algorithms, which are mostly developed under the kinematical approximation. Such approximation prohibits the application of BCDI on larger crystals, which are commonly seen in most emerging functional materials. Understanding the dynamical effect in BCDI, as well as developing a validated method for modeling BCDI at the dynamical diffraction limit, is crucial for applying BCDI to hierarchical systems that contain micron-sized crystals and grains. Thus we report a comparative study on the impact of dynamical diffraction effects by comparing the reconstruction results from two measurements of the same crystal. Forward simulation is implemented to show subtle changes of interference fringes in the diffraction pattern due to the dynamical diffraction, and is compared directly with the experimental data.},
doi = {10.1103/physrevb.106.184111},
journal = {Physical Review. B},
number = 18,
volume = 106,
place = {United States},
year = {Wed Nov 30 00:00:00 EST 2022},
month = {Wed Nov 30 00:00:00 EST 2022}
}
Works referenced in this record:
X-ray dynamical diffraction from single crystals with arbitrary shape and strain field: A universal approach to modeling
journal, January 2014
- Yan, Hanfei; Li, Li
- Physical Review B, Vol. 89, Issue 1
Inversion Domain Boundaries in GaN Wires Revealed by Coherent Bragg Imaging
journal, September 2015
- Labat, Stéphane; Richard, Marie-Ingrid; Dupraz, Maxime
- ACS Nano, Vol. 9, Issue 9
Coherent X-ray diffraction imaging of strain at the nanoscale
journal, April 2009
- Robinson, Ian; Harder, Ross
- Nature Materials, Vol. 8, Issue 4
Dynamical scattering in coherent hard x-ray nanobeam Bragg diffraction
journal, June 2018
- Pateras, A.; Park, J.; Ahn, Y.
- Physical Review B, Vol. 97, Issue 23
Three-Dimensional Imaging of Microstructure in Au Nanocrystals
journal, April 2003
- Williams, G. J.; Pfeifer, M. A.; Vartanyants, I. A.
- Physical Review Letters, Vol. 90, Issue 17
Effectiveness of iterative algorithms in recovering phase in the presence of noise
journal, December 2006
- Williams, Garth; Pfeifer, Mark; Vartanyants, Ivan
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 63, Issue 1
Phase modulation due to crystal diffraction by ptychographic imaging
journal, March 2018
- Civita, M.; Diaz, A.; Bean, R. J.
- Physical Review B, Vol. 97, Issue 10
Dynamical Diffraction of X Rays by Perfect Crystals
journal, July 1964
- Batterman, Boris W.; Cole, Henderson
- Reviews of Modern Physics, Vol. 36, Issue 3
Dynamical theory of diffraction applicable to crystals with any kind of small distortion
journal, December 1962
- Takagi, S.
- Acta Crystallographica, Vol. 15, Issue 12
High-resolution three-dimensional partially coherent diffraction imaging
journal, January 2012
- Clark, J. N.; Huang, X.; Harder, R.
- Nature Communications, Vol. 3, Issue 1
Phase retrieval algorithms: a comparison
journal, January 1982
- Fienup, J. R.
- Applied Optics, Vol. 21, Issue 15
Memory and CPU efficient computation of the Fresnel free-space propagator in Fourier optics simulations
journal, January 2019
- Chubar, Oleg; Celestre, Rafael
- Optics Express, Vol. 27, Issue 20
Three-dimensional mapping of a deformation field inside a nanocrystal
journal, July 2006
- Pfeifer, Mark A.; Williams, Garth J.; Vartanyants, Ivan A.
- Nature, Vol. 442, Issue 7098
Phase of transmitted wave in dynamical theory and quasi-kinematical approximation
journal, May 2016
- Gorobtsov, O. Yu.; Vartanyants, I. A.
- Physical Review B, Vol. 93, Issue 18
Dynamical effects in Bragg coherent x-ray diffraction imaging of finite crystals
journal, August 2017
- Shabalin, A. G.; Yefanov, O. M.; Nosik, V. L.
- Physical Review B, Vol. 96, Issue 6
Phase retrieval by iterated projections
journal, January 2003
- Elser, Veit
- Journal of the Optical Society of America A, Vol. 20, Issue 1
Invited Article: A unified evaluation of iterative projection algorithms for phase retrieval
journal, January 2007
- Marchesini, S.
- Review of Scientific Instruments, Vol. 78, Issue 1
Diffractive imaging of nonperiodic materials with future coherent X-ray sources
journal, August 2004
- Shen, Qun; Bazarov, Ivan; Thibault, Pierre
- Journal of Synchrotron Radiation, Vol. 11, Issue 5
Reconstruction of the Shapes of Gold Nanocrystals Using Coherent X-Ray Diffraction
journal, October 2001
- Robinson, I. K.; Vartanyants, I. A.; Williams, G. J.
- Physical Review Letters, Vol. 87, Issue 19
Orientation variation of surface strain
journal, September 2007
- Harder, R.; Pfeifer, M. A.; Williams, G. J.
- Physical Review B, Vol. 76, Issue 11
Bayesian-Based Iterative Method of Image Restoration*
journal, January 1972
- Richardson, William Hadley
- Journal of the Optical Society of America, Vol. 62, Issue 1
Dynamic diffraction artefacts in Bragg coherent diffractive imaging
journal, February 2018
- Hu, Wen; Huang, Xiaojing; Yan, Hanfei
- Journal of Applied Crystallography, Vol. 51, Issue 1
Threefold rotational symmetry in hexagonally shaped core–shell (In,Ga)As/GaAs nanowires revealed by coherent X-ray diffraction imaging
journal, April 2017
- Davtyan, Arman; Krause, Thilo; Kriegner, Dominik
- Journal of Applied Crystallography, Vol. 50, Issue 3
Dynamical x‐ray diffraction from nonuniform crystalline films: Application to x‐ray rocking curve analysis
journal, June 1986
- Wie, C. R.; Tombrello, T. A.; Vreeland, T.
- Journal of Applied Physics, Vol. 59, Issue 11
An iterative technique for the rectification of observed distributions
journal, June 1974
- Lucy, L. B.
- The Astronomical Journal, Vol. 79
X-ray image reconstruction from a diffraction pattern alone
journal, October 2003
- Marchesini, S.; He, H.; Chapman, H. N.
- Physical Review B, Vol. 68, Issue 14
Propagation of X-rays in distorted crystals under dynamical diffraction
journal, August 1991
- Gronkowski, Jerzy
- Physics Reports, Vol. 206, Issue 1