Band lineup modification by Ge interlayer deposition at II–VI/III–V semiconductor heterojunctions

We present as study of the atomic and electronic properties of the non-polar GaAsZnSe(110) interface by means of first principles total energy calculations based on the density functional theory. The effect of the deposition of Ge monolayers at the semiconductor interface is analyzed in order to investigate the extent to which the band lineup can be modified by interlayer deposition of chemically different elements at the heterojunction. Depending on the atomic arrangement of the atoms at the interface region, an atomic dipole can be created that modifies the band lineup. Our results clearly show the possibility of band offset control by Ge deposition in the non-polar ZnSeGaAs(110) interface.