Oxygen vacancy formation energies in PbTiO${}_3$/SrTiO${}_3$ superlattice

Lipeng Zhang, Isaac Bredeson, Axiel Yaël Birenbaum +4

The defect stability in a prototypical perovskite oxide superlattice consisting of SrTiO${}_3$ and PbTiO${}_3$ (STO/PTO) is determined using first principles density functional theory…