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Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/4884

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
Citation: 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.
Description: DOI: 10.1063/1.2358289
Type: Journal/Magazine Article
URI: http://hdl.handle.net/10397/4884
ISSN: 0003-6951 (print)
1077-3118 (online)
Appears in Collections:ME Journal/Magazine Articles

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