Отправить статью по E-mail Theoretical study of the structure of lead zirconate–titanate PbZr0.6Ti0.4O3
- Авторы: Bogdanov A.I.1,2, Mysovsky A.S.1,2, Kimmel A.V.3,4
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Учреждения:
- Vinogradov Institute of Geochemistry, Siberian Branch
- Irkutsk National Research Technical University
- National Physical Laboratory
- Department of Physics and Astronomy
- Выпуск: Том 81, № 9 (2017)
- Страницы: 1075-1079
- Раздел: Article
- URL: https://journals.rcsi.science/1062-8738/article/view/185177
- DOI: https://doi.org/10.3103/S1062873817090076
- ID: 185177
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Аннотация
A model of the structure of the piezoelectric ceramic lead zirconate–titanate PbZr1–xTixO3 (PZT) is proposed. The model is based on ab initio calculations for possible local structures using the density functional theory (DFT) approach. A comparison of the calculated neutron diffraction data for local structures and the measured diffraction data obtained for actual powder samples shows there is a partially established long-range crystalline order in the material, in the sublattice of Zr and Ti cations.
Об авторах
A. Bogdanov
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
Автор, ответственный за переписку.
Email: alex.bogdanov2012@gmail.com
Россия, Irkutsk, 664033; Irkutsk, 664074
A. Mysovsky
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
Email: alex.bogdanov2012@gmail.com
Россия, Irkutsk, 664033; Irkutsk, 664074
A. Kimmel
National Physical Laboratory; Department of Physics and Astronomy
Email: alex.bogdanov2012@gmail.com
Великобритания, Teddington, TW11 0LW; London, WC1E 6BT
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