Theoretical study of the structure of lead zirconate–titanate PbZr0.6Ti0.4O3
- 作者: Bogdanov A.I.1,2, Mysovsky A.S.1,2, Kimmel A.V.3,4
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隶属关系:
- Vinogradov Institute of Geochemistry, Siberian Branch
- Irkutsk National Research Technical University
- National Physical Laboratory
- Department of Physics and Astronomy
- 期: 卷 81, 编号 9 (2017)
- 页面: 1075-1079
- 栏目: Article
- URL: https://journals.rcsi.science/1062-8738/article/view/185177
- DOI: https://doi.org/10.3103/S1062873817090076
- ID: 185177
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详细
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.
作者简介
A. Bogdanov
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
编辑信件的主要联系方式.
Email: alex.bogdanov2012@gmail.com
俄罗斯联邦, Irkutsk, 664033; Irkutsk, 664074
A. Mysovsky
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
Email: alex.bogdanov2012@gmail.com
俄罗斯联邦, Irkutsk, 664033; Irkutsk, 664074
A. Kimmel
National Physical Laboratory; Department of Physics and Astronomy
Email: alex.bogdanov2012@gmail.com
英国, Teddington, TW11 0LW; London, WC1E 6BT
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