Simultaneously B- and P-doped silicon nanoclusters: Formation energies and electronic properties
2005; American Institute of Physics; Volume: 87; Issue: 17 Linguagem: Inglês
10.1063/1.2119424
ISSN1520-8842
AutoresStefano Ossicini, Elena Degoli, Federico Iori, Eleonora Luppi, Rita Magri, Giovanni Cantele, Fabio Trani, D. Ninno,
Tópico(s)Nanowire Synthesis and Applications
ResumoThe effects of B and P codoping on the impurity formation energies and electronic properties of Si nanocrystals (Si-nc) are calculated by a first-principles method. We show that, if carriers in the Si-nc are perfectly compensated by simultaneous doping with n- and p-type impurities, the Si-nc undergo a minor structural distortion around the impurities and that the formation energies are always smaller than those for the corresponding single-doped cases. The band gap of the codoped Si-nc is strongly reduced with respect to the gap of the pure ones showing the possibility of an impurity based engineering of the photoluminescence properties of Si-nc.
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