Theory of the energy-band lineup at an abrupt semiconductor heterojunction

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Abstract
We present a refined model for the prediction of the energy-band lineup at an abrupt semiconductor heterojunction. The position of the energy bands with respect to the electrostatic potential is calculated by a self-consistent pseudopotential,for the bulk semiconductors. The lineup of the electrostatic potentials is then calculated from an ionic model in which the ionic charges are determined by the electronegativities of the atomic species. The resulting band lineups are independent of the crystallographic orientation of the heterojunction. They are also generally consistent with experimental data.