Split Ga vacancies are the most stable vacancy type in β-, α-, and κ-Ga2O3, identified via MLIP screening and confirmed with HSE06 DFT, limiting n-type doping unless grown oxygen-poor.
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Universal Stability of Ga Split Vacancies across \alpha-, \beta-, and \kappa-Ga2O3 Polymorphs: A Machine-Learning Accelerated Study
Split Ga vacancies are the most stable vacancy type in β-, α-, and κ-Ga2O3, identified via MLIP screening and confirmed with HSE06 DFT, limiting n-type doping unless grown oxygen-poor.