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Publikováno v:
SPIE Proceedings.
We present first-principles calculations of the band-gap properties of the zinc-blende BN, GaN and B x Ga 1-x N alloys. By 16-atom supercells to model a random alloy, the direct band-gap (Γ 15v -Γ 1c ) bowing of 5.0 eV is obtained for B x Ga 1-x N