An ab initio investigation of flexoelectric effect in ultrathin BaTiO3 nanotubes

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.