Using first-principles calculations, we show that the maximum reachable concentration x in the (Ga1−xInx)2O3 alloy in the low-x regime (i.e., the In solubility in β-Ga2O3) is around 10%. We then calculate the band alignment at the (100) interface between β-Ga2O3 and (Ga1−xInx)2O3 at 12%, the nearest computationally treatable concentration. The alignment is strongly strain-dependent: it is type-B staggered when the alloy is epitaxial on Ga2O3 and type-A straddling in a free-standing superlattice. Our results suggest a limited range of applicability of low-In-content GaInO alloys.

Low In solubility and band offsets in the small-x β-Ga2O3/(Ga1−xInx)2O3 system

MACCIONI, MARIA BARBARA;FIORENTINI, VINCENZO
2015-01-01

Abstract

Using first-principles calculations, we show that the maximum reachable concentration x in the (Ga1−xInx)2O3 alloy in the low-x regime (i.e., the In solubility in β-Ga2O3) is around 10%. We then calculate the band alignment at the (100) interface between β-Ga2O3 and (Ga1−xInx)2O3 at 12%, the nearest computationally treatable concentration. The alignment is strongly strain-dependent: it is type-B staggered when the alloy is epitaxial on Ga2O3 and type-A straddling in a free-standing superlattice. Our results suggest a limited range of applicability of low-In-content GaInO alloys.
2015
first-principles calculations; (Ga1−xInx)2O3 ALLOY; band alignment
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/61219
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