First-principles study of Al substitution at Ga(II)-site in β-Ga2O3: Enhanced mechanical strength and phonon-related thermal indicators for power electronics

Key Points

• Enhanced mechanical strength is observed with Al substitution at the Ga(II)-site in β-Ga2O3, improving its suitability for electronics.
• The analysis indicates a correlation between Al substitution and phonon-related thermal indicators, suggesting better thermal management.
• This study employs first-principles techniques to investigate the impact of Al on the local structure and properties of β-Ga2O3.
• These findings highlight the potential applications of substituted β-Ga2O3 in next-generation power electronics, enhancing efficiency.