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In this work, the energy band structures of BGaN and BAlN alloys aresystematically studied through first-principles calculation using HSE hybriddensity functional theory by MedeA-VASP. Direct-indirect bandgap transition ofBGaN alloys at B content around 44% and that of BAlN alloys at B content about24% have been identified. The variation of electron and hole effective massesof both materials at different B compositions have also been demonstrated. Alarge change in hole effective masses of BGaN and BAlN alloys from B=0% to 25%has been observed. Finally, a picture of energy bandgap versus lattice constantof III-nitride family with boron is shown.

Band structures and direct-to-indirect bandgap transitions in BAlN and BGaN alloys: a first principle study