Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices

被引：31

作者：

Cooper, Valentino R. ^{[1
]}

Rabe, Karin M. ^{[2
]}

机构：

[1] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA

[2] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 18期

关键词：

ab initio calculations; barium compounds; density functional theory; dielectric polarisation; ferroelectric materials; lead compounds; piezoelectricity; superlattices; ENHANCEMENT;

D O I：

10.1103/PhysRevB.79.180101

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Short-period ferroelectric/ferroelectric PbTiO3 (PTO)/BaTiO3 (BTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric superlattices the polarization remains nearly constant for PTO concentrations below 50%. In addition, a significant decrease in the c/a ratio below the PTO values was observed. Using a first-principles superlattice model we predict an enhancement in the d(33) piezoelectric coefficient peaking at similar to 75% PTO concentration due to the different polarization-strain coupling in PTO and BTO layers. Further analysis reveals that these trends are bulk properties which are a consequence of the reduced P brought about by the polarization saturation in the BTO layers.

引用

页数：4

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