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Tunability of vortex-like patterns on 180o domain walls in ferroelectric PbTiO3

ABSTRACT Vortices and antivortices are topological defects that could be exploited in high-density storage devices. Using first-principles calculations, we found vortex-like patterns around charged domain walls that are closely related to the tilt angles of charged 180° domain walls relative to the [100] direction. With decreasing tilt angle, the vortex-like patterns evolve from independent antivortices to vortex-antivortex pairs, and then to the inexistence of vortex or antivortex defects. These findings might promote to understand the atomic scale structures of 180° domain walls and open a new pathway to manipulating vortex structures to obtain novel properties.