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题名: Abnormal ferroelectric response and enhancement of piezoelectricity of PbTiO3 under uniaxial compression
作者: Duan YF;  Li JB;  Li SS;  Xia JB;  Chen CQ
发表日期: 2008
摘要: The ferroelectricity of rhombohedral PbTiO3 under uniaxial compression is investigated from first-principles study. Upon compression, the ferroelectricity decreases until a critical stress of -29 GPa and then increases with a further increase of the magnitude of the uniaxial compressive stress. We also find that uniaxial compression could enhance piezoelectricity and that the maximum piezoelectric coefficient d(33) occurs at sigma(33)=-49 GPa, which supports the experimentally observed piezoelectric behavior in rhombohedral Pb(Mg1/3Nb2/3O3)-0.32PbTiO(3) [Q. Wan, C. Chen, and Y. P. Shen, J. Appl. Phys. 98, 024103 (2005)]. Our calculated results show that the Pb, Ti, and O atoms have different contributions to the total polarization with increasing the magnitude of uniaxial compressive stress, and that when -sigma(33)>55 GPa, the Ti atoms no longer have contributions to the polarization, which leads to the changes of ferroelectricity and piezoelectricity. (C) 2008 American Institute of Physics.
刊名: JOURNAL OF APPLIED PHYSICS
专题: 中国科学院半导体研究所(2009年前)_期刊论文

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推荐引用方式:
Duan, YF ; Li, JB ; Li, SS ; Xia, JB ; Chen, CQ .Abnormal ferroelectric response and enhancement of piezoelectricity of PbTiO3 under uniaxial compression ,JOURNAL OF APPLIED PHYSICS,2008 ,103(8): Art. No. 083713
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