Confinement and surface effects in B and P doping of silicon nanowires.

@article{Leo2008ConfinementAS,
  title={Confinement and surface effects in B and P doping of silicon nanowires.},
  author={Cedric Rocha Le{\~a}o and Adalberto Fazzio and Ant{\^o}nio Jos{\'e} Roque da Silva},
  journal={Nano letters},
  year={2008},
  volume={8 7},
  pages={
          1866-71
        }
}
Several experimental groups have achieved effective n- and p-type doping of silicon nanowires (SiNWs). However, theoretical analyses on ultrathin SiNWs suggest that dopants tend to segregate to their surfaces, where they would combine with defects such as dangling bonds (DB), becoming electronically inactive. Using fully ab initio calculations, we show that the differences in formation energies among surface and core substitutional sites decrease rapidly as the diameters of the wires increase… CONTINUE READING