n- and p-type dopants for cubic silicon nitride

The formation and ionization energies of impurities in cubic silicon nitrid e are investigated through first-principles calculations. Among the element s in the groups III to VI, P and O are preferable for n-type doping, while Al is favorable for p-type doping in terms of the formation and ionization energies. The compensation of doped carriers associated with the incorporat ion of these impurities into anti and interstitial sites can be suppressed if appropriate growth conditions are chosen. (C) 2001 American Institute of Physics.