AVERAGE-BOND-ENERGY BEHAVIOUR AT THE INTERFACES OF DIFFERENT LATTICE-ORIENTATION AND THICKNESS SUPERLATTICES
不同晶向、厚度的超晶格界面的平均键能行为

The electronic structures of the three lattice-orientation (i.e.,(110),(100) and (111))superlattices (AlAs)1(GaAs)1,(AlAs)3(GaAs)3 are studied with the linearized-muffin-Tin-orbitals band-structure method. The frozen shape approach is adopted to investigate the charge transfer across the interfaces, the alignment of age-bond-energy(ABE) and the valence-band offsets (VBO) under the conditions of different latticeorientations and different thickness of superlattice slab. The ABE method for determining the VBO's, in which the ABE is regarded as a energy reference, is further comprehensively tested numerically.