Figure 19
(a) Isosurface of charge density for PbTiO3 at 0.86 e Å−3. It is colored by the value of electrostatic potential from −0.9 (red) to 0.9 e Å (blue). (b) Isosurface of charge density for PbTiO3 at 1 e Å−3. It is colored by the amplitude of the z component of the electric field from −2.0 (red) to 2.0 e Å−2. |