Unveiling and mapping polymorphs in fluorite Y 2 TiO 5 using 4D‐STEM and unsupervised machine learning Article Swipe
Eitan Hershkovitz
,
Timothy Jinsoo Yoo
,
Xiaofei Pu
,
Kaustubh Bawane
,
Tadachika Nakayama
,
Hisayuki Suematsu
,
Lingfeng He
,
Honggyu Kim
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1111/jace.20309
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1111/jace.20309
Y 2 TiO 5 belongs to the Ln 2 TiO 5 (Ln = lanthanide or Y) family of ceramic materials and exhibits a range of desirable material properties such as radiation tolerance, frustrated magnetism, and large dielectric constant. However, understanding the complex crystal structure of Y 2 TiO 5 remains elusive, given that Y 2 TiO 5 can adopt multiple polymorphs such as cubic, orthorhombic, and hexagonal phases within the lattice. In this work, we report a detailed structural analysis of Y 2 TiO 5 using four‐dimensional scanning transmission electron microscopy coupled with unsupervised machine learning. The pyrochlore nanodomains, characterized by the ordered arrangement of yttrium cations on the A site of their A 2 BO 5 structure, are present within the matrix of a predominantly fluorite‐structured Y 2 TiO 5 along with a third polymorph, the hexagonal phase. The pyrochlore phase is found to form 2 nm boundary regions around hexagonal phase stacking faults, highlighting the potential influence of the hexagonal phase on the occurrence and distribution of the pyrochlore phase. Lastly, we identify a unique pyrochlore phase with asymmetric arrangement of cation ordering along a single planar direction. Our findings provide invaluable insights into the possible mechanisms stabilizing pyrochlore nanodomains within the fluorite lattice of Y 2 TiO 5 .
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1111/jace.20309
- OA Status
- green
- References
- 60
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4405560554
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https://openalex.org/W4405560554Canonical identifier for this work in OpenAlex
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https://doi.org/10.1111/jace.20309Digital Object Identifier
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Unveiling and mapping polymorphs in fluorite Y 2 TiO 5 using 4D‐STEM and unsupervised machine learningWork title
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articleOpenAlex work type
- Language
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enPrimary language
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2024Year of publication
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2024-12-17Full publication date if available
- Authors
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Eitan Hershkovitz, Timothy Jinsoo Yoo, Xiaofei Pu, Kaustubh Bawane, Tadachika Nakayama, Hisayuki Suematsu, Lingfeng He, Honggyu KimList of authors in order
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https://doi.org/10.1111/jace.20309Publisher landing page
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YesWhether a free full text is available
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greenOpen access status per OpenAlex
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https://www.osti.gov/servlets/purl/2514482Direct OA link when available
- Concepts
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Pyrochlore, Materials science, Orthorhombic crystal system, Crystallography, Stacking, Fluorite, Phase (matter), Yttrium, Crystal structure, Oxide, Chemistry, Physics, Nuclear magnetic resonance, Organic chemistry, MetallurgyTop concepts (fields/topics) attached by OpenAlex
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0Total citation count in OpenAlex
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