Effects of hydrostatic pressure on Pb(Zr1−xTix)O3 near the morphotropic phase boundary

A first-principles-derived effective Hamiltonian is adopted to simulate the effects of high-pressure on Pb(Zr1−xTix)O3 near the morphotropic phase boundary. With increasing pressure, the induced tetragonal-to-monoclinic and monoclinic-to-rhombohedral phase transitions are observed at low temperature...

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Veröffentlicht in:Journal of applied physics 2010-12, Vol.108 (12)
Hauptverfasser: Wu, Chaoye, Duan, Wenhui, Zhang, Xiao-Wen, Liu, Zhirong
Format: Artikel
Sprache:eng
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Zusammenfassung:A first-principles-derived effective Hamiltonian is adopted to simulate the effects of high-pressure on Pb(Zr1−xTix)O3 near the morphotropic phase boundary. With increasing pressure, the induced tetragonal-to-monoclinic and monoclinic-to-rhombohedral phase transitions are observed at low temperatures, which are accompanied by significantly enhanced piezoelectric responses. By determining the pressure-temperature phase diagram, it was revealed that the M phase resides in a narrow region between the T and R phases with inclining boundaries.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.3520659