Huge enhancement of electronmechanical responses in compositionally modulated PZT

Details Huge enhancement of electronmechanical responses in compositionally modulated PZT Huge enhancement of electronmechanical responses in compositionally modulated PZT

2003-02-22

arxiv.org/abs/cond-mat/0302462v2

Phys. Rev. Lett. {\bf 91}, 67602(2003)

Physics

Condensed Matter

Materials Science

5 pages, 4 figures

Scientific paper

10.1103/PhysRevLett.91.067602

Monte Carlo simulations based on a first-principles-derived Hamiltonian are conducted to study the properties of PZT alloys compositionally modulated along the [100] pseudocubic direction near the morphotropic phase boundary (MPB). It is shown that compositional modulation causes the polarization to continuously rotate away from the modulation direction, resulting in the unusual triclinic and C-type monoclinic ground states and huge enhancement of electromechanical responses (the peak of piezoelectric coefficient is as high as 30000 pC/N). The orientation dependence of dipole-dipole interaction in modulated structure is revealed as the microscopic mechanism to be responsible for these anomalies.

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