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The lattice mismatch between AlGaN and AlN substrates limits the design andefficiency of UV LEDs, but it can be mitigated by the co-incorporation ofboron. We employ hybrid density functional theory to investigate thethermodynamic, structural, and electronic properties of BAlGaN alloys. We showthat BAlGaN can lattice match AlN with band gaps that match AlGaN of the samegallium content. We predict that BAlGaN emits transverse-electric polarized forgallium content of ~45% or more. Our results indicate that BAlGaN alloys arepromising materials for higher efficiency UV optoelectronic devices on bulk AlNsubstrates.

BAlGaN alloys nearly lattice-matched to AlN for efficient UV LEDs