Surface states at unrelaxed ZnO(101̄0)

Abstract
The electronic structure of an ideal ZnO(101̄0) surface has been studied using a tight‐binding approach, with the surface modeled in a semi‐infinite geometry. It is found that the surface states follow the band edge very closely due to the ionic character of the surface. Moreover, the close spacing between Zn 3d and O 2p levels produces a small but not negligible amount of d character in the surface states.