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Title: Experiment and first principles investigation on the hydrogen-hindered phase transition of ferroelectric ceramics
Authors: Huang, H. Y.
Chu, Wuyang
Su, Yanjing
Li, J. X.
Qiao, Lijie
Shi, San-qiang
Subjects: Ferroelectricity
Lead compounds
Numerical methods
Phase transitions
Issue Date: 2-Oct-2006
Publisher: American Institute of Physics
Source: Applied physics letters, 2 Oct. 2006, v. 89, no. 14, 142904, p. 1-3.
Abstract: In this letter, hydrogen-hindered phase transition of ferroelectric ceramics from cubic to tetragonal has been studied by experiment and first principles calculation. The calculation shows that for hydrogenated tetragonal PbTiO₃, double-lowest-energy sites of Ti along the c axis exist no longer and the only lowest energy site locates at the center of the cell. The calculation can explain the experiment that hydrogen charged above its Curie temperature can hinder phase transition of lead zirconate titanate from cubic paraelectricity to tetragonal ferroelectricity.
Rights: © 2006 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in H. Y. Huang et al., Appl. Phys. Lett. 89, 142904 (2006) and may be found at
Type: Journal/Magazine Article
DOI: 10.1063/1.2358289
ISSN: 0003-6951 (print)
1077-3118 (online)
Appears in Collections:ME Journal/Magazine Articles

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