In a previous study, puzzling experimental results regarding the neutralization of N effects on the bandgap energy in the hydrogenated In0.21Ga0.79As0.975N0.025 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.

Origin and Potentialities of the Selective Host‐Matrix Effect in Hydrogenated III‐V‐N Alloys

Francesco Filippone
Primo
;
Aldo Amore Bonapasta
Secondo
2024

Abstract

In a previous study, puzzling experimental results regarding the neutralization of N effects on the bandgap energy in the hydrogenated In0.21Ga0.79As0.975N0.025 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
Istituto di Struttura della Materia - ISM - Sede Secondaria Montelibretti
defect engineering
density functional theory
hydrogenation
III-V-N semiconductors
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/517851
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