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. 2017 Jan 25;7:41301. doi: 10.1038/srep41301

Figure 1. Vacancy formation energy ΔH in BaTiO3 as a function of the chemical potential μe of the electron reservoir.

Figure 1

The left column is under oxygen-poor condition with μO = −4 eV, and the right column is under oxygen-rich condition with μO = 0 eV. In each column, three different vacancy species are considered, namely Inline graphic, Inline graphic, and Inline graphic. The number labelled near each line is the charge state q.