Nanosize confinement induced enhancement of spontaneous polarization in a ferroelectric nanowire

Abstract

We theoretically showed that 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 along the wire direction in a fully-relaxed PbTiO3 NW with 1.8 nm diameter is 1.26 times higher than that of bulk counterpart. The tension induced by NW surface curvature counteracts the near-surface depolarizing effect and meanwhile leads to the unusual enhancement of spontaneous polarization. These findings indicated that FE NWs can be promising in the applications of nanodevices.