First-principles study for surface tension and depolarizing effect on ferroelectric properties of BaTiO3 nanowires

被引：0
|
作者：
蔡孟秋 [1 ]
杜勇 [1 ]
黄伯云 [1 ]
机构：
[1] State Key Laboratory of Powder Metallurgy,Central South University
来源：
TransactionsofNonferrousMetalsSocietyofChina | 2009年 / 19卷 / 06期
基金：
中国博士后科学基金; 中国国家自然科学基金;
关键词：
ferroelectric nanowires; surface stress; depolarization; first-principles;
D O I：
暂无
中图分类号：
TB383.1 [];
学科分类号：
摘要：
The spontaneous polarization in ferroelectric(FE)nanowires(NWs)can be considerably enhanced due to the nanosize confinement by the first-principles calculations.The spontaneous polarization in a fully-relaxed BaTiO3 NW with 2.0 nm in diameter is 1.18 times higher than that of bulk counterpart.The ferroelectric properties of the wire are found to generally depend on its dimensions through effects of the surface tension and near-surface depolarizing effect.The surface tension seems to be crucial for the giant enhancement of spontaneous polarization.
引用
收藏
页码：1634 / 1638
页数：5
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