Unravelling Disorder in Aperiodic Crystals – Diffuse Scattering and Atomic Resolution Holography

Stellhorn, J. R.; Meekel, E. G.; Minelli, A.

doi:10.1002/ijch.202300154

Title: Unravelling Disorder in Aperiodic Crystals – Diffuse Scattering and Atomic Resolution Holography

Journal Article · 17 October 2024 · Israel Journal of Chemistry

DOI: https://doi.org/10.1002/ijch.202300154 · OSTI ID:2475730

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Shimane University (Japan)
Univ. of Oxford (United Kingdom); Kyoto Univ. (Japan)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

The atomic–scale disorder of aperiodic crystals, and quasicrystals in particular, is inherently difficult to explore by experimental methods due to their complex atomic arrangements. Two advanced characterization techniques, a revived and an emerging one, offer direct experimental access even to such complex atomic structures: Diffuse Scattering and Atomic Resolution Holography. Finally, in this overview, we introduce their specific application to aperiodic crystals and discuss their merits and difficulties.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: Japan Society for the Promotion of Science (JSPS); USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2475730

Journal Information:: Israel Journal of Chemistry, Journal Name: Israel Journal of Chemistry Journal Issue: 10-11 Vol. 64; ISSN 0021-2148

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

References (71)

Theory of Diffuse Scattering of Quasicrystals Due to Fluctuations of Thermalised Phonons and Phasons Wang, Renhui; Hu, Chengzheng; Lei, Jianlin physica status solidi (b), Vol. 225, Issue 1 https://doi.org/10.1002/(SICI)1521-3951(200105)225:1<21::AID-PSSB21>3.0.CO;2-T	journal	May 2001
Röntgenstrahlinterferenz und Mischkristalle v. Laue, M. Annalen der Physik, Vol. 361, Issue 15 https://doi.org/10.1002/andp.19183611502	journal	January 1918
Symmetry Breaking and Order in the Age of Quasicrystals Lifshitz, Ron Israel Journal of Chemistry, Vol. 51, Issue 11-12 https://doi.org/10.1002/ijch.201100156	journal	December 2011
Toward Discord: Code for Simulating Continuous Spin Systems Morgan, Zachary; Ye, Feng JOM, Vol. 74, Issue 6 https://doi.org/10.1007/s11837-022-05273-5	journal	April 2022
XPAD3-S: A fast hybrid pixel readout chip for X-ray synchrotron facilities Pangaud, Patrick; Basolo, Stephanie; Boudet, Nathalie Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 591, Issue 1 https://doi.org/10.1016/j.nima.2008.03.047	journal	June 2008
3D Electron Diffraction: The Nanocrystallography Revolution Gemmi, Mauro; Mugnaioli, Enrico; Gorelik, Tatiana E. ACS Central Science, Vol. 5, Issue 8 https://doi.org/10.1021/acscentsci.9b00394	journal	July 2019
Direct Observation of Group-V Dopant Substitutional Defects in CdTe Single Crystals Nagaoka, Akira; Kimura, Koji; Ang, Artoni Kelvin R. Journal of the American Chemical Society, Vol. 145, Issue 16 https://doi.org/10.1021/jacs.3c01248	journal	April 2023
X-ray holography with atomic resolution Tegze, Miklós; Faigel, Gyula Nature, Vol. 380, Issue 6569 https://doi.org/10.1038/380049a0	journal	March 1996
Atomic structure of the binary icosahedral Yb–Cd quasicrystal Takakura, Hiroyuki; Gómez, Cesar Pay; Yamamoto, Akiji Nature Materials, Vol. 6, Issue 1 https://doi.org/10.1038/nmat1799	journal	December 2006
Quantitative three-dimensional local order analysis of nanomaterials through electron diffraction Schmidt, Ella Mara; Klar, Paul Benjamin; Krysiak, Yaşar Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-41934-y	journal	October 2023
Extra electron reflections in concentrated alloys do not necessitate short-range order Walsh, Flynn; Zhang, Mingwei; Ritchie, Robert O. Nature Materials, Vol. 22, Issue 8 https://doi.org/10.1038/s41563-023-01570-9	journal	July 2023
Preparation of cyclohexene isotopologues and stereoisotopomers from benzene Smith, Jacob A.; Wilson, Katy B.; Sonstrom, Reilly E. Nature, Vol. 581, Issue 7808 https://doi.org/10.1038/s41586-020-2268-y	journal	May 2020
Phonons, phasons and atomic dynamics in quasicrystals de Boissieu, Marc Chemical Society Reviews, Vol. 41, Issue 20 https://doi.org/10.1039/c2cs35212e	journal	January 2012
Utilisation de la diffusion centrale anomale pour l'étude des séparations de phases d'alliages ternaires Lyon, O.; Simon, J. P. Le Journal de Physique IV, Vol. 04, Issue C3 https://doi.org/10.1051/jp4:1994303	journal	February 1994
Détermination des paramètres d'ordre à courte distance dans une phase Ni₂CoCr : résultats préliminaires Guillet, F.; CÉNÉDÈSe, P.; Calvayrac, Y. Le Journal de Physique IV, Vol. 04, Issue C3 https://doi.org/10.1051/jp4:1994308	journal	February 1994
Development of an X-ray fluorescence holographic measurement system for protein crystals Sato-Tomita, Ayana; Shibayama, Naoya; Happo, Naohisa Review of Scientific Instruments, Vol. 87, Issue 6 https://doi.org/10.1063/1.4953453	journal	June 2016
A cryostat designed for x-ray fluorescence holography experiments down to 4 K Hayashi, Kouichi; Happo, Naohisa; Hosokawa, Shinya Review of Scientific Instruments, Vol. 92, Issue 8 https://doi.org/10.1063/5.0056914	journal	August 2021
Diffuse scattering. X-rays vs. neutrons Boysen, H.; Frey, F. Phase Transitions, Vol. 67, Issue 1 https://doi.org/10.1080/01411599808219194	journal	October 1998
Disorder diffuse scattering from quasicrystals Steurer, W.; Frey, F. Phase Transitions, Vol. 67, Issue 1 https://doi.org/10.1080/01411599808219199	journal	October 1998
One hundred years of diffuse scattering Welberry, T. R.; Weber, T. Crystallography Reviews, Vol. 22, Issue 1 https://doi.org/10.1080/0889311X.2015.1046853	journal	July 2015
Elastic stability and diffuse scattering in icosahedral quasicrystals Widom, M. Philosophical Magazine Letters, Vol. 64, Issue 5 https://doi.org/10.1080/09500839108214625	journal	November 1991
Cell-constrained melt-quench simulation of d -AlCoNi: Ni-rich versus Co-rich structures Mihalkovič, M.; Widom, M.; Henley, C. L. Philosophical Magazine, Vol. 91, Issue 19-21 https://doi.org/10.1080/14786435.2010.515264	journal	September 2010
In-between Bragg reflections: thermal diffuse scattering and vibrational spectroscopy with x-rays Bosak, A.; Chernyshov, D.; Wehinger, B. Journal of Physics D: Applied Physics, Vol. 48, Issue 50 https://doi.org/10.1088/0022-3727/48/50/504003	journal	December 2015
Diffuse x-ray scattering and models of disorder Welberry, T. R. Reports on Progress in Physics, Vol. 48, Issue 11 https://doi.org/10.1088/0034-4885/48/11/002	journal	November 1985
X-ray fluorescence holography Hayashi, Kouichi; Happo, Naohisa; Hosokawa, Shinya Journal of Physics: Condensed Matter, Vol. 24, Issue 9 https://doi.org/10.1088/0953-8984/24/9/093201	journal	February 2012
Diffuse scattering in metallic tin polymorphs Wehinger, Björn; Bosak, Alexeï; Piccolboni, Giuseppe Journal of Physics: Condensed Matter, Vol. 26, Issue 11 https://doi.org/10.1088/0953-8984/26/11/115401	journal	March 2014
Aperiodic Crystals Janssen, Ted; Chapuis, Gervais; de Boissieu, Marc Oxford University Press https://doi.org/10.1093/acprof:oso/9780198567776.001.0001	book	January 2007
The rise of the X-ray atomic pair distribution function method: a series of fortunate events Billinge, Simon J. L. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2147 https://doi.org/10.1098/rsta.2018.0413	journal	April 2019
Lattice dynamics and phase stability of rhombohedral antimony under high pressure Minelli, A.; Souliou, S. M.; Nguyen-Thanh, T. Physical Review B, Vol. 100, Issue 10 https://doi.org/10.1103/PhysRevB.100.104305	journal	September 2019
Local structure and atomic dynamics in Fe 2 VAl Heusler-type thermoelectric material: The effect of heavy element doping Kimura, K.; Yamamoto, K.; Hayashi, K. Physical Review B, Vol. 101, Issue 2 https://doi.org/10.1103/PhysRevB.101.024302	journal	January 2020
Elucidation of local structure deformation in κ − ( BEDT − TTF ) 2 Cu [ N ( CN ) 2 ] Br by x-ray fluorescence holography Ang, Artoni Kevin R.; Marumi, Riho; Sato-Tomita, Ayana Physical Review B, Vol. 103, Issue 21 https://doi.org/10.1103/PhysRevB.103.214106	journal	June 2021
Element-selective local structural analysis around B -site cations in multiferroic Pb(Fe1/2Nb1/2)O3 using x-ray fluorescence holography Kimura, K.; Urushihara, D.; Kondo, R. Physical Review B, Vol. 104, Issue 14 https://doi.org/10.1103/PhysRevB.104.144101	journal	October 2021
Short-range magnetic correlations in quasicrystalline i -Tb-Cd Das, P.; Kreyssig, A.; Tucker, G. S. Physical Review B, Vol. 108, Issue 13 https://doi.org/10.1103/PhysRevB.108.134421	journal	October 2023
Symmetry of periodically distorted crystals Janner, A.; Janssen, T. Physical Review B, Vol. 15, Issue 2 https://doi.org/10.1103/PhysRevB.15.643	journal	January 1977
Diffuse scattering from quasicrystals Jarić, Marko V.; Nelson, David R. Physical Review B, Vol. 37, Issue 9 https://doi.org/10.1103/PhysRevB.37.4458	journal	March 1988
Dodecagonal order in a two-dimensional Lennard-Jones system Leung, P. W.; Henley, Christopher L.; Chester, G. V. Physical Review B, Vol. 39, Issue 1 https://doi.org/10.1103/PhysRevB.39.446	journal	January 1989
Phason softening and structural transitions in icosahedral quasicrystals Ishii, Y. Physical Review B, Vol. 45, Issue 10 https://doi.org/10.1103/PhysRevB.45.5228	journal	March 1992
Resonant x-ray fluorescence holography: Three-dimensional atomic imaging in true color Omori, S.; Zhao, L.; Marchesini, S. Physical Review B, Vol. 65, Issue 1 https://doi.org/10.1103/PhysRevB.65.014106	journal	December 2001
Structural disorder in the decagonal Al – Co – Ni . I. Patterson analysis of diffuse x-ray scattering data Kobas, Miroslav; Weber, Thomas; Steurer, Walter Physical Review B, Vol. 71, Issue 22 https://doi.org/10.1103/PhysRevB.71.224205	journal	June 2005
Impurity position and lattice distortion in a Mn-doped Bi2Te3 topological insulator investigated by x-ray fluorescence holography and x-ray absorption fine structure Hosokawa, Shinya; Stellhorn, Jens Rüdiger; Matsushita, Tomohiro Physical Review B, Vol. 96, Issue 21 https://doi.org/10.1103/PhysRevB.96.214207	journal	December 2017
Archetypal Soft-Mode-Driven Antipolar Transition in Francisite Cu3Bi(SeO3)2O2Cl Milesi-Brault, Cosme; Toulouse, Constance; Constable, Evan Physical Review Letters, Vol. 124, Issue 9 https://doi.org/10.1103/PhysRevLett.124.097603	journal	March 2020
Phason Dynamics of Incommensurate Crystals Zeyher, R.; Finger, W. Physical Review Letters, Vol. 49, Issue 25 https://doi.org/10.1103/PhysRevLett.49.1833	journal	December 1982
Photoelectron Holography Barton, John J. Physical Review Letters, Vol. 61, Issue 12 https://doi.org/10.1103/PhysRevLett.61.1356	journal	September 1988
Removing multiple scattering and twin images from holographic images Barton, J. J. Physical Review Letters, Vol. 67, Issue 22 https://doi.org/10.1103/PhysRevLett.67.3106	journal	November 1991
Direct 3D Imaging of Al 70.4 Pd 21 Mn 8.6 Quasicrystal Local Atomic Structure by X-ray Holography Marchesini, S.; Schmithüsen, F.; Tegze, M. Physical Review Letters, Vol. 85, Issue 22 https://doi.org/10.1103/PhysRevLett.85.4723	journal	November 2000
Analysis and modelling of structural disorder by the use of the three-dimensional pair distribution function method exemplified by the disordered twofold superstructure of decagonal Al–Cu–Co Schaub, Philippe; Weber, Thomas; Steurer, Walter Journal of Applied Crystallography, Vol. 44, Issue 1 https://doi.org/10.1107/S0021889810044742	journal	December 2010
Optical transform and Monte-Carlo study of phason fluctuations in quasi-periodic tilings Welberry, T. R. Journal of Applied Crystallography, Vol. 24, Issue 3 https://doi.org/10.1107/S0021889890013875	journal	June 1991
DISCUS : a program for diffuse scattering and defect-structure simulation Proffen, Th.; Neder, R. B. Journal of Applied Crystallography, Vol. 30, Issue 2 https://doi.org/10.1107/S002188989600934X	journal	April 1997
Short-range order and spin-glass-like freezing in A –Mg– R ( A = Zn or Cd; R = rare-earth elements) magnetic quasicrystals Sato, Taku J. Acta Crystallographica Section A Foundations of Crystallography, Vol. 61, Issue 1 https://doi.org/10.1107/S0108767304026625	journal	December 2004
Crystallography of Quasiperiodic Crystals Yamamoto, A. Acta Crystallographica Section A Foundations of Crystallography, Vol. 52, Issue 4 https://doi.org/10.1107/S0108767396000967	journal	July 1996
Performance of single-photon-counting PILATUS detector modules Kraft, P.; Bergamaschi, A.; Broennimann, Ch. Journal of Synchrotron Radiation, Vol. 16, Issue 3 https://doi.org/10.1107/S0909049509009911	journal	April 2009
Yell : a computer program for diffuse scattering analysis via three-dimensional delta pair distribution function refinement Simonov, A.; Weber, T.; Steurer, W. Journal of Applied Crystallography, Vol. 47, Issue 3 https://doi.org/10.1107/S1600576714008668	journal	May 2014
A valence-selective X-ray fluorescence holography study of an yttrium oxide thin film Stellhorn, J. R.; Hosokawa, S.; Happo, N. Journal of Applied Crystallography, Vol. 50, Issue 6 https://doi.org/10.1107/S1600576717012821	journal	October 2017
Implementation of cross correlation for energy discrimination on the time-of-flight spectrometer CORELLI Ye, Feng; Liu, Yaohua; Whitfield, Ross Journal of Applied Crystallography, Vol. 51, Issue 2 https://doi.org/10.1107/S160057671800403X	journal	March 2018
A new diffractometer for diffuse scattering studies on the ID28 beamline at the ESRF Girard, A.; Nguyen-Thanh, T.; Souliou, S. M. Journal of Synchrotron Radiation, Vol. 26, Issue 1 https://doi.org/10.1107/S1600577518016132	journal	January 2019
Atomic structure and phason modes of the Sc–Zn icosahedral quasicrystal Yamada, Tsunetomo; Takakura, Hiroyuki; Euchner, Holger IUCrJ, Vol. 3, Issue 4 https://doi.org/10.1107/S2052252516007041	journal	June 2016
Tuneable local order in thermoelectric crystals Roth, Nikolaj; Beyer, Jonas; Fischer, Karl F. F. IUCrJ, Vol. 8, Issue 4 https://doi.org/10.1107/S2052252521005479	journal	June 2021
Characterization of Medipix3 With Synchrotron Radiation Gimenez, Eva N.; Ballabriga, Rafael; Campbell, Michael IEEE Transactions on Nuclear Science, Vol. 58, Issue 1 https://doi.org/10.1109/TNS.2010.2089062	journal	February 2011
Multiple-wavelength neutron holography with pulsed neutrons Hayashi, Kouichi; Ohoyama, Kenji; Happo, Naohisa Science Advances, Vol. 3, Issue 8 https://doi.org/10.1126/sciadv.1700294	journal	August 2017
Truchet-tile structure of a topologically aperiodic metal–organic framework Meekel, Emily G.; Schmidt, Ella M.; Cameron, Lisa J. Science, Vol. 379, Issue 6630 https://doi.org/10.1126/science.ade5239	journal	January 2023
Coherent X-ray diffraction and phason fluctuations in quasicrystals Létoublon, A.; Yakhou, F.; Livet, F. Europhysics Letters (EPL), Vol. 54, Issue 6 https://doi.org/10.1209/epl/i2001-00317-0	journal	June 2001
What is a crystal? Lifshitz, Ron Zeitschrift für Kristallographie, Vol. 222, Issue 6 https://doi.org/10.1524/zkri.2007.222.6.313	journal	January 2007
The three-dimensional pair distribution function analysis of disordered single crystals: basic concepts Weber, Thomas; Simonov, Arkadiy Zeitschrift für Kristallographie, Vol. 227, Issue 5 https://doi.org/10.1524/zkri.2012.1504	journal	May 2012
Stable Al—Ni—Rh decagonal phase Grushko, B.; Mi, S. Zeitschrift für Kristallographie - Crystalline Materials, Vol. 218, Issue 6 https://doi.org/10.1524/zkri.218.6.389.20722	journal	June 2003
Atomic Short Range Order in a Fe-Ni Invar Alloy Cenedese, P.; Bley, F.; Lefebvre, S. MRS Proceedings, Vol. 21 https://doi.org/10.1557/PROC-21-351	journal	January 1982
The Local Structure of the Fibonacci Chain and the Penrose Tiling from X-Ray Fluorescence Holography Stellhorn, Jens R.; Takakura, Hiroyuki; Hosokawa, Shinya MATERIALS TRANSACTIONS, Vol. 62, Issue 3 https://doi.org/10.2320/matertrans.MT-MB2020005	journal	March 2021
Principle and Reconstruction Algorithm for Atomic-Resolution Holography Matsushita, Tomohiro; Muro, Takayuki; Matsui, Fumihiko Journal of the Physical Society of Japan, Vol. 87, Issue 6 https://doi.org/10.7566/JPSJ.87.061002	journal	June 2018
X-ray Fluorescence Holography: Principles, Apparatus, and Applications Hayashi, Kouichi; Korecki, Pawel Journal of the Physical Society of Japan, Vol. 87, Issue 6 https://doi.org/10.7566/JPSJ.87.061003	journal	June 2018
Holographic Reconstruction of Photoelectron Diffraction and Its Circular Dichroism for Local Structure Probing Matsui, Fumihiko; Matsushita, Tomohiro; Daimon, Hiroshi Journal of the Physical Society of Japan, Vol. 87, Issue 6 https://doi.org/10.7566/JPSJ.87.061004	journal	June 2018
Valence-Selective Local Atomic Structures on an YbInCu₄ Valence Transition Material by X-Ray Fluorescence Holography Hosokawa, Shinya; Happo, Naohisa; Hayashi, Kouichi Journal of the Physical Society of Japan, Vol. 89, Issue 3 https://doi.org/10.7566/JPSJ.89.034603	journal	March 2020
X-ray Fluorescence Holography as a Probe of Hyper-Ordered Structures Kimura, Koji Journal of the Physical Society of Japan, Vol. 91, Issue 9 https://doi.org/10.7566/JPSJ.91.091005	journal	September 2022

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
aperiodic crystals
atomic disorder
diffuse scattering
local order
x-ray holography

Title: Unravelling Disorder in Aperiodic Crystals – Diffuse Scattering and Atomic Resolution Holography

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