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 < 0001 > and < 1-100 > directions using tight binding representation. The dangling bonds on two end-surfaces caused surface bands for different directions 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 decreasing with the thickness of the nonpolar [1-100] slab. And, the quantum confinement effect is distinctively enhanced by the extra electron-field induced in the < 0001 > grown finite well with the polar end-surfaces.