An average-bond-energy method used for band-offset calculation for a strained heterojunction

We have extended the average-bond-energy method to study the strained-heterojunction band offset. Through a detailed study of the effect of hydrostatic and uniaxial strains on the energy of the average valence band edge E-v.av relative to the average bond energy, we find that E-v.av remains basically unchanged under different strain conditions, and that the deformation potential a(v.av) corresponding to E-v.av is much smaller than the a(v) for other analogous methods. Thus, in the average-bond-energy method, the valence band offset Delta E-v can be obtained neglecting a(v.av). It is only necessary to calculate the valence band maximum energy relative to the average bond energy before the strain and to use the experimental values of the deformation potential b and spin-orbit splitting Delta(0) to determine the splitting value for the valence band. It is not necessary to calculate the band structures under various strain conditions. This simplified calculation method involves only a small calculational burden; therefore, it can conveniently be used to predict the strained-heterojunction band offset.