We studied Si nanowires, both undoped and doped, concentrating on the electronic structure.
We show that, for the undoped nanowires, the DFT bandgap reduces with increasing diameter and converges to its bulk value, a trend in agreement with experimental data. When considering As-doped Si nanowires we show that dopant placement within the nanowire plays an important role in deciding electronic properties.

This paper has not yet been published. However, it is available on arXiv

This entry was posted on 2019/7/12.