Transactions of Nonferrous Metals Society of China
JOURNAL OF RAILWAY SCIENCE AND ENGINEERING
|Vol. 19 No. 6 December 2009|
（State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China）
Abstract: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.
Key words: ferroelectric nanowires; surface stress; depolarization; first-principles