We studied Si nanowires, both undoped and doped, concentrating on the electronic structure[1]. 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. It is available on arXiv

[1] Journal of Physics: Condensed Matter 32, 035304 (2019) DOI:10.1088/1361-648x/ab4b3c

This entry was posted on 2019/7/12.