Enviar artigo por via de e-mail Theoretical study of the structure of lead zirconate–titanate PbZr0.6Ti0.4O3
- Autores: Bogdanov A.I.1,2, Mysovsky A.S.1,2, Kimmel A.V.3,4
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Afiliações:
- Vinogradov Institute of Geochemistry, Siberian Branch
- Irkutsk National Research Technical University
- National Physical Laboratory
- Department of Physics and Astronomy
- Edição: Volume 81, Nº 9 (2017)
- Páginas: 1075-1079
- Seção: Article
- URL: https://journals.rcsi.science/1062-8738/article/view/185177
- DOI: https://doi.org/10.3103/S1062873817090076
- ID: 185177
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Resumo
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.
Sobre autores
A. Bogdanov
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
Autor responsável pela correspondência
Email: alex.bogdanov2012@gmail.com
Rússia, Irkutsk, 664033; Irkutsk, 664074
A. Mysovsky
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
Email: alex.bogdanov2012@gmail.com
Rússia, Irkutsk, 664033; Irkutsk, 664074
A. Kimmel
National Physical Laboratory; Department of Physics and Astronomy
Email: alex.bogdanov2012@gmail.com
Reino Unido da Grã-Bretanha e Irlanda do Norte, Teddington, TW11 0LW; London, WC1E 6BT
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