The energetics and electronic structures of basal-plane stacking faults in wurtzite ZnO were studied by using first-principles density-functional total energy calculations. All of the basal-plane stacking faults were found to have very low formations energies. They also introduced a downward shift at the conduction-band minimum. However, plane-averaged charge densities of the conduction-band minimum state revealed that the states were not very localized, indicating that these stacking faults should be electronically inert. The high concentration of these stacking faults could result in embedded zinc-blende ZnO surrounded by wurtzite material.

Energetics and Electronic Structure of Stacking Faults in ZnO. Yan, Y., Dalpian, G.M., Al-Jassim, M.M., Wei, S.H.: Physical Review B, 2004, 70[19], 193206