Enhancing the mechanical strength of β - Ga2O3 with <mml:math xmlns:mml="http://www.w3.org/1998/Math/…

β-Ga₂O₃ is a promising ultrawide-bandgap semiconductor material for power electronics and optical applications. However, its low hardness and cleavage nature pose major challenges to crystal growth and processing. In this study, Al alloying is proposed as an effective method to improve the mechanical properties of β-Ga₂O₃ as seed crystals and substrates. First-principle calculations are employed to assess the alloying-induced evolution of crystal structure and mechanical behavior. Elastic constants, ideal shear strengths, and ideal cleavage strengths are all shown to enhance with increasing Al concentration. Our analysis reveals the possibility of obtaining the mechanically favorable β-Ga₂O₃ seed crystals and substrates with proper Al alloying, providing theoretical guidance to the development of β-Ga₂O₃ materials and devices.