Figure 4.

Polarization-switching pathway in the presence of a
vacancy: (a) the initial configuration with an asymmetric structure, where B1 and B2 are B-site atoms, the dash lines indicate the centrosymmetric planes of the bulk 5-atoms cell for these two atoms, and
is the vacancy. Polarization is along the B1-B2 direction. (b) Polarization switching in which B-site atoms do not cross the centrosymmetric positions. Empty circles indicate initial positions and solid circles the final positions.