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-heter ojunction band offset. Through a detailed study of the effect of hydrostati c and uniaxial strains on the energy of the average valence band edge E-v.a v relative to the average bond energy, we find that E-v.av remains basicall y unchanged under different strain conditions, and that the deformation pot ential a(v.av) corresponding to E-v.av is much smaller than the a(v) for ot her 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 neces sary to calculate the valence band maximum energy relative to the average b ond energy before the strain and to use the experimental values of the defo rmation potential b and spin-orbit splitting Delta(0) to determine the spli tting value for the valence band. It is not necessary to calculate the band structures under various strain conditions. This simplified calculation me thod involves only a small calculational burden; therefore, it can convenie ntly be used to predict the strained-heterojunction band offset.