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

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.

关键词： ferroelectric nanowires surface stress depolarization first-principles

作者: CAI Meng-qiu DU Yong HUANG Bai-yun

作者单位: State Key Laboratory of Powder Metallurgy,Central South University,Changsha 410083,China

会议类型: 国际会议

会议名称: 2009 Frontier Symposium of China Postductors on Materrials Science(2009年中国博士后材料科学前言论坛)

会议地点: 长沙

会议语种:英文

页码: 1634-1638

在线出版日期: 2009-11-22（万方平台首次上网日期，不代表论文的发表时间）