Incommensurate crystal structure of PbHfO3
Open accessAbstract
Controversy in the description/identification of so-called intermediate phase(s) in PbHfO 3, stable in the range ∼420–480 K, has existed for a few decades. A synchrotron diffraction experiment on a partially detwinned crystal allowed the structure to be solved in the superspace group Imma(00γ)s 00 (No. 74.2). In contrast to some previously published reports, in the pure compound only one distinct phase was observed between Pbam PbZrO 3-like antiferroelectric and Pm 3 m paraelectric phases. The modulation vector depends only slightly on temperature. The major structure modulation is associated with the displacement of lead ions, which is accompanied by a smaller amplitude modulation for the surrounding O atoms and tilting of HfO 6 octahedra. Tilting of the octahedra results in a doubling of the unit cell compared with the parent structure.
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The intermediate phase in bulk PHO was recently identified as incommensurate.
“It was recently identified as incommensurate.7”
From The other model antiferroelectric: PbHfO3 thin films from ALD precursors (2021) · cites this paper as [7]
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Antiferroelectric oxide thin-films: Fundamentals, properties, and applications
Si, Y., Zhang, T., Liu, C., Das, S., Xu, B., Burkovsky, R. G., Wei, X.-K., & Chen, Z. (2024) · Progress in Materials Science · doi:10.1016/j.pmatsci.2023.101231 · Cited by 84 · see citing works
The other model antiferroelectric: PbHfO3 thin films from ALD precursors
Hanrahan, B., Milesi-Brault, C., Leff, A., Payne, A., Liu, S., Guennou, M., & Strnad, N. (2021) · APL Materials · doi:10.1063/5.0035730 · Cited by 19 · see citing works
Shen, H., Zhou, B., Zhang, Y., Qi, R., Chen, Y., Chen, X., Fu, Z., Wang, G., Yang, J., Bai, W., et al. (2024) · Journal of Applied Physics · doi:10.1063/5.0206234 · Cited by 6 · see citing works
- Authors
- Bosak, A., Svitlyk, V., Arakcheeva, A., Burkovsky, R., Diadkin, V., Roleder, K., & Chernyshov, D.
- Affiliations
- European Synchrotron Radiation Facility (FR)
- University of Silesia in Katowice (PL)
- Peter the Great St. Petersburg Polytechnic University (RU)
- Venue
- Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
- Published
- 2020-02-01
- Volume
- 76
- Issue
- 1
- Pages
- 7-12
- ISSN
- 2052-5192 (ISSN-L)
- 2052-5206
- OpenAlex
- W2995993278
- Cited by
- 41
- References
- 0
- Citations by year
- 2026: 4 · 2025: 8 · 2024: 6 · 2023: 7 · 2022: 7 · 2021: 8 · 2020: 1
- FWCI
- 1.45
- Type
- journal article
- Language
- en
- Open access
- green
- infoscience.epfl.ch
- Licence
- Locations
- Acta Crystallographica Section B Structural Science Crystal Engineering and Materials (publishedVersion)
- PubMed (publishedVersion)
- Infoscience (Ecole Polytechnique Fédérale de Lausanne) (submittedVersion, cc-by-nc-nd)
- Funders
- Ministry of Education and Science of the Russian Federation (3.1150.2017/4.6)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Solid-state spectroscopy and crystallography
- Physical Sciences › Materials Science › Materials Chemistry › Ferroelectric and Piezoelectric Materials
- Physical Sciences › Materials Science › Electronic, Optical and Magnetic Materials › Crystal Structures and Properties
- Keywords
- PbHfO3, intermediate phase, superspace group, modulation vector, unit cell doubling, lead hafnate
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