Low In solubility and band offsets in the small-$x$ $\beta$-Ga$_2$O$_3$/(Ga$_{1-x}$In$_x$)$_2$O$_3$ system

Based on first-principles calculations, we show that the maximum reachable concentration $x$ in the (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ alloy in the low- $x$ regime (i.e. In solubility in $β$ -Ga $_{2}$ O $_{3}$ ) is around 10%. We then calculate the band alignment at the (100) interface between $β$ -Ga $_{2}$ O $_{3}$ and (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ at 12%, the nearest computationally treatable concentration. The alignment is strongly strain-dependent: it is of type-B staggered when the alloy is epitaxial on Ga $_{2}$ O $_{3}$ , 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- $x$ $β$ -Ga $_{2}$ O $_{3}$ /(Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ system

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Low In solubility and band offsets in the small- $x$ $β$ -Ga $_{2}$ O $_{3}$ /(Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ system

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Low In solubility and band offsets in the small-xx ββ-Ga22​O33​/(Ga1−x1−x​Inxx​)22​O33​ system

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Low In solubility and band offsets in the small-xx ββ-Ga22​O33​/(Ga1−x1−x​Inxx​)22​O33​ system

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Low In solubility and band offsets in the small- $x$ $β$ -Ga $_{2}$ O $_{3}$ /(Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ system

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Low In solubility and band offsets in the small- $x$ $β$ -Ga $_{2}$ O $_{3}$ /(Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ system

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