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Science & ResearchAug 31, 2026

Halide donors in monoclinic- and corundum-phase Ga$_2$O$_3$ and Al$_2$O$_3$

We present a systematic first-principles investigation of halide impurities (F and Cl) in Ga$_2$O$_3$ and Al$_2$O$_3$, considering both monoclinic and corundum phases.

We present a systematic first-principles investigation of halide impurities (F and Cl) in Ga$_2$O$_3$ and Al$_2$O$_3$, considering both monoclinic and corundum phases. Our study of the structural properties, formation energies, and charge-state transition levels establishes the…

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