P‐doping of Si nanoparticles: The effect of oxidation

@article{Carvalho2012PdopingOS,
  title={P‐doping of Si nanoparticles: The effect of oxidation},
  author={A. Carvalho and S. Oberg and M. Barroso and M. Rayson and P. Briddon},
  journal={Physica Status Solidi (a)},
  year={2012},
  volume={209},
  pages={1847-1850}
}
  • A. Carvalho, S. Oberg, +2 authors P. Briddon
  • Published 2012
  • Physics
  • Physica Status Solidi (a)
  • The preferred location of boron and phosphorus in oxidized free-standing Si nanoparticles was investigated using a first-principles density functional approach. The calculated formation energies indicate that P should segregate to the silicon core, whereas B is equally stable in the Si and SiO_2 regions. Our models thus suggest that, in contrast with nanocrystals with H-terminated surfaces, the efficiency of phosphorus incorporation in oxidized Si nanoparticles can be improved by thermal… CONTINUE READING

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