Pressure-induced anomalous phase transitions and colossal enhancement of piezoelectricity in PbTiO3 -: art. no. 037601

被引:292
作者
Wu, ZG [1 ]
Cohen, RE [1 ]
机构
[1] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA
关键词
D O I
10.1103/PhysRevLett.95.037601
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We find an unexpected tetragonal-to-monoclinic-to-rhombohedral-to-cubic phase transition sequence induced by pressure, and a morphotropic phase boundary in a pure compound using first-principles calculations. Huge dielectric and piezoelectric coupling constants occur in the transition regions, comparable to those observed in the new complex single-crystal solid-solution piezoelectrics such as Pb(Mg1/3Nb2/3)O-3-PbTiO3, which are expected to revolutionize electromechanical applications. Our results show that morphotropic phase boundaries and giant piezoelectric effects do not require intrinsic disorder, and open the possibility of studying this effect in simple systems.
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页数:4
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