We present first-principles calculations of the band-gap properties of the zinc-blende BN, GaN and BxGa1-xN alloys. By
16-atom supercells to model a random alloy, the direct band-gap (Γ15v-Γ1c) bowing of 5.0 eV is obtained for BxGa1-xN
alloys in the range of 0~37.5%, and the bowing parameter increases by 0.043eV/%B with boron (B) composition
increasing. In addition, our calculated results show that 0.8eV (1550nm) direct transition band-gap energy of
BxGa1-xNyAs1-y lattice matches to Si can be theoretically obtained while boron (B) composition is 4% and nitrogen (N)
composition is 16%.
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