Abstract

The radiative transitions in P- and B-doped Si nanocrystals are investigated by means of first-principle calculations. Using a three-level model, we show that the radiative lifetimes and oscillator strengths of the transitions between the conduction and the impurity bands, as well as the transitions between the impurity and the valence bands are strongly affected by the impurity position. On the other hand, the direct conduction-to-valence band decay is practically unchanged due to the presence of the impurity. In addition, the emission intensity of P(B)-doped nanocrystals with impurities positioned in the surface (anywhere) is higher (lower) than for pure nanocrystals.

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