Email this article Theoretical study of the structure of lead zirconate–titanate PbZr0.6Ti0.4O3
- Authors: Bogdanov A.I.1,2, Mysovsky A.S.1,2, Kimmel A.V.3,4
-
Affiliations:
- Vinogradov Institute of Geochemistry, Siberian Branch
- Irkutsk National Research Technical University
- National Physical Laboratory
- Department of Physics and Astronomy
- Issue: Vol 81, No 9 (2017)
- Pages: 1075-1079
- Section: Article
- URL: https://journals.rcsi.science/1062-8738/article/view/185177
- DOI: https://doi.org/10.3103/S1062873817090076
- ID: 185177
Cite item
Open Access
Access granted
Subscription Access
Abstract
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.
About the authors
A. I. Bogdanov
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
Author for correspondence.
Email: alex.bogdanov2012@gmail.com
Russian Federation, Irkutsk, 664033; Irkutsk, 664074
A. S. Mysovsky
Vinogradov Institute of Geochemistry, Siberian Branch; Irkutsk National Research Technical University
Email: alex.bogdanov2012@gmail.com
Russian Federation, Irkutsk, 664033; Irkutsk, 664074
A. V. Kimmel
National Physical Laboratory; Department of Physics and Astronomy
Email: alex.bogdanov2012@gmail.com
United Kingdom, Teddington, TW11 0LW; London, WC1E 6BT
Supplementary files
