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. 2015 Oct 19;6:8610. doi: 10.1038/ncomms9610

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(a) Illustration of the simulation cell of the heterostructure, with the simulated migration path indicated schematically by black arrows. Sr in blue, Ti in grey and O in red. (b) Energies of the sites and saddle points corresponding to an oxygen vacancy migrating through the heterostructure. The x axis is scaled to the fractional coordinates of the c axis of the simulation cell. All plotted energies are referenced to the average vacancy formation in the SrTiO₃ regime of the simulation cell. The dotted line serves as a guide to the eye for the change in energy during the migration process.