First-principles study on absolute band edge positions for II-VI semiconductors at (1Â 1Â 0) surface

► The band edges were calculated for the (1 1 0) surface of II-VI semiconductors. ► The thickness of the slab in the (1 1 0) surface affects significantly the band edges. ► ECBM declines as the number of atomic layers increases. ► EVBM remains almost unchanged as the number of atomic layers increases. ► The variation trend of Eg with the slab thickness is consistent with that of ECBM.