Electronic structures and surface states of ZnO finite well structures

Abstract

Electronic band structures and surface states were investigated for ZnO finite wells or slabs grown along < 0 0 0 1 > and < 1 - 1 0 0 > directions using tight-binding representation. The dangling bonds on two end-surfaces caused surface bands for different direction grown slabs, of which the wavefunctions tend to localize at the end-surfaces. The increasing splitting of the degenerate surface bands at the Gamma point was observed to decrease with the thickness of the nonpolar [1 - 1 0 0] slab. And the quantum confinement effect is distinctively enhanced by the extra electron field induced in the < 0 0 0 1 > grown finite well with the polar end-surfaces.