4.6 Article

An ab initio investigation of flexoelectric effect in ultrathin BaTiO3 nanotubes

Journal

JOURNAL OF APPLIED PHYSICS
Volume 115, Issue 7, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.4866355

Keywords

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Funding

  1. National Natural Science Foundation of China [10832009, 11222218, 11321202]
  2. Zhejiang Provincial Natural Science Foundation of China [R6100325]
  3. Science and Technology Innovative Research Team of Zhejiang Province [2009R50010]

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We predict the existence of radial polarizations in single-layer-thick BaTiO3 nanotubes via ab initio calculations. The electric polarization is confirmed and calculated by a reliable method based on electrostatic potential analysis. And the polarization is found proportional to the strain gradient, which is induced by the bending deformation. The calculated effective transverse flexoelectric coefficient of BaTiO3 nanotubes possesses an order of -1 nC/m. (C) 2014 AIP Publishing LLC.

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