“…Indeed, in agreement with previous results on CaTiO 3 38 and as it can be observed in Figure 8, the Ti 3d orbitals split into two levels (t 2g , e g ) in the cubic (i.e., paraelectric) structure. On the contrary, in the ferroelectric phase, this degeneracy is lifted due to a change in symmetry from cubic to tetragonal, where orbitals are further split into four sublevels (d xy = d zx , d yz , d z 2 , and d x y 2) for the TiO 2 ones underneath the terminal BaO layer. These modifications in degeneracy in Ti 3d levels observed between ferro-and paraelectric phases and between TiO 2 underneath surface and bulk TiO 2 layers might also be behind the observed splitting of Ba 4d core levels and their variation with temperature and strain.…”