Sg. Shen et Xq. Fan, THE ELECTRONIC-STRUCTURE OF ALYGAXIN1-X-YAS ALLOYS AND RELATED HETEROJUNCTIONS, Journal of physics. Condensed matter, 9(15), 1997, pp. 3151-3162
The dependences on composition of the bond lengths and energy bands of
AlyGaxIn1-x-yAs quaternary alloys are calculated on the basis of tigh
t-binding theory under the virtual-crystal approximation. For a AlyGax
In1-x-yAs quaternary alloy lattice matched to InP, a type ll staggered
band line-up is observed when the Al composition is larger than 24%.
At this point the conduction band discontinuity of AlyGaxIn1-x-yAs/InP
heterostructures disappears. The effective electron mass associated w
ith the conduction band minimum is estimated on the basis of the k . p
theory, and is in good agreement with the cyclotron resonance experim
ental results. The relative conduction band discontinuity Delta E-c/De
lta E-g is determined to be 72.2% for In0.53Ga0.47As/In0.52Al0.48As. T
he band offsets of the related heterojunctions are calculated, and com
pared with experimental and previous theoretical results.