Origin and potentialities of the selective host-matrix effect in hydrogenated III-V-N alloys

In a previous study, puzzling experimental results regarding the neutralization of N effects on the bandgap energy in the hydrogenated In${}_{0.21}$Ga${}_{0.79}$As${}_{0.975}$N${}_{0.025}$ alloy were explained by theoretical investigations revealing the occurrence of a novel phenomenon: thermal annealing changes the InGaAs host-matrix by making it able to exert a selection of the N-H complexes responsible of the N neutralization. In view of technological applications of this effect, the underlying selective host-matrix model was carefully checked here by theoretically investigating InGaAsN alloys of different compositions ranging from Ga-rich to In-rich. As a most important result, such an extensive investigation inspired a comprehensive explanation of the origin of the host-matrix effect which clarifies how the effect works, firmly establishes its occurrence, gives indications for a bandgap tuning based on a matrix design, sets conditions for its extension to other III-V-N alloys and suggests ways to induce fine changes of the alloy mechanical behavior. (© 2024 The Author(s). Advanced Functional Materials published by Wiley‐VCH GmbH)