The atomic geometries and electronic structures of (101̄0) and (112̄0) cleavage faces of wurtzite-structure semiconductors are predicted using a sp3 tight-binding model. The surface reconstructions are caused by the lowering in energy of a surface state from near midgap to the top of the valence band. The atomic relaxations are roughly analogous to those on zinc-blende (110) with top-layer anions relaxed outward from the surface and top-layer cations inward. Each surface exhibits distinctive surface relaxations, however, which vary from one material to another via a linear scaling of the independent structural variables with the bulk lattice constant. Several bands of surface bound states and surface resonances are predicted for each surface.
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Duke et al. (1988) studied this question.