Calculated intrinsic defect formation energies as a function of the Fermi energy under Zn- and O-rich conditions with the GGA. The zero of the Fermi level corresponds to the valence band maximum, and the conduction band minimum is set at the GW band gap of 6.55 eV.Reuse & Permissions
Figure 6
The same as Fig. 5, but obtained with the HSE06 functional.Reuse & Permissions