Band offset calculations applied to III–V nitride quantum well device engineering

Abstract

Band offset calculations for zinc-blende pseudomorphically strained Al 1− x Ga x N/Al 1− y Ga y N and In x Ga 1− x N/In y Ga 1− y N interfaces have been performed on the basis of the model solid theory combined with ab initio calculations. From the results obtained, we have calculated, separately, the valence and conduction band discontinuities of In x Ga 1− x N/GaN and GaN/Al 1− x Ga x N as a function of the indium and gallium contents respectively. Using the latter results, we have extended our study to simulate band discontinuities for strained Ga 1− x In x N/relaxed Al 1− y Ga y N heterointerfaces. Information derived from this investigation will be useful for the design of lattice mismatched heterostructures in modeling optoelectronic devices emitting at ultraviolet to near infrared wavelengths.