Band alignment between GaAs and partially ordered GaInP

An empirical pseudopotential method is used for calculating the band structure of partially CuPt ordered GaxIn1−xP alloy with order parameter η varying from 0 to 1. Because the relative band alignments between the binaries (GaAs, GaP, and InP) are taken into account in the pseudopotential fitting, such a calculation naturally yields the conduction and valence band alignment between the GaInP alloy and GaAs, as well as shows how the alignments change with the order parameter. The band alignment is found to change from type I to type II at η=0.46 (0.54) for x=0.50 (0.52), which is in good agreement with experimental data.