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Formation energies of the O vacancy (VO) and of the Zn interstitial at the octahedral site (Zni) in neutral and 2+ charge states, obtained using the GGA, as a function of (a) L− 1 and (b) L− 3 (L: average interdefect distance) [44]. The formation energies are evaluated for the O-poor limit and the Fermi level at the VBM. Filled and open symbols denote values before and after Madelung energy corrections using equation (12).
