Band offsets at the InAlGaAs/InAlAs (001) heterostructures lattice matched to an InP substrate

The first-principles pseudopotential method combined with virtual crystal approximation is used to calculate band offsets at the In0.53(AlzGa1−z)0.47As/In0.52Al0.48As (001) heterostructures lattice matched to an InP substrate. It is found that the valence-band offset (VBO) varies with respect to the aluminum composition as VBO=0.18–0.16z–0.02z2 eV, while the conduction-band offset (CBO) varies as CBO=0.51–0.33z–0.18z2 eV. Our results are in good agreement with the experimental data.