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Huge enhancement of electromechanical responses in compositionally modulated Pb(Zr(1-x )Tix)O3
Authors:Huang Ningdong  Liu Zhirong  Wu Zhongqing  Wu Jian  Duan Wenhui  Gu Bing-Lin  Zhang Xiao-Wen
Institution:Department of Physics, Tsinghua University, Beijing 100084, People's Republic of China.
Abstract:Monte Carlo simulations based on a first-principles-derived Hamiltonian are conducted to study the properties of Pb(Zr1-xTix)O3 alloys compositionally modulated along the 100] pseudocubic direction near the morphotropic phase boundary. It is shown that compositional modulation causes the polarization to continuously rotate away from the modulation direction, resulting in the unexpected triclinic and C-type monoclinic ground states and huge enhancement of electromechanical responses (the peak of piezoelectric coefficient is as high as 30,000 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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