Ke Sanhuang, Wang Renzhi, Huang Meichun. AVERAGE-BOND-ENERGY MODEL:ITS PHYSICAL BASIS, ADVANTAGES, LIMITATIONS AND APPLICATIONS[J]. Chinese Journal of Luminescence, 1996,17(4): 299-310
Ke Sanhuang, Wang Renzhi, Huang Meichun. AVERAGE-BOND-ENERGY MODEL:ITS PHYSICAL BASIS, ADVANTAGES, LIMITATIONS AND APPLICATIONS[J]. Chinese Journal of Luminescence, 1996,17(4): 299-310DOI:
AVERAGE-BOND-ENERGY MODEL:ITS PHYSICAL BASIS, ADVANTAGES, LIMITATIONS AND APPLICATIONS
we present a full explanation for the average-bond-energy (ABE) model
which was developed
on the basis of numerical calculations
for the determination of valence-band offsets at heterointerfaces. By comparing it with the TB" pinned" model
the dielectric-midgap-energy model
and the charge-neutrality-point model
the relations between the four model theories are shown
and the advantages and limitationsof the ABE model are discussed. In this paper
the ABE model is applied to determining the valence-band offsets at 27 lattice-matched heterointerfaces systematically. The results show:(1)the cation shallow d orbitals play an important role in determining the theoretical values of valence-band offsets; (2)the interface dipole potential is an important contribution to the valence-band offset; (3)the results of ABE model are in good agreement with relevant experimental data
and the accuracy seems to be better than that of several other model theories; (4)the ABE model is not suitable to material systems which do not possess the character of sp