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Title: Experiment and first principles investigation on the hydrogen-hindered phase transition of ferroelectric ceramics
Authors: Huang, HY
Chu, W
Su, Y
Li, JX
Qiao, L
Shi, SQ 
Issue Date: 2-Oct-2006
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.
Keywords: Ferroelectricity
Hydrogen
Hydrogenation
Lead compounds
Numerical methods
Phase transitions
Publisher: American Institute of Physics
Journal: Applied physics letters 
ISSN: 0003-6951
EISSN: 1077-3118
DOI: 10.1063/1.2358289
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 http://link.aip.org/link/?apl/89/142904
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