| Investigation of Transport Properties in pure SiNW and SiNW Doped with Boron |
| کد مقاله : 1138-PHYCHEM23 |
| نویسندگان |
|
راحله معصومی فرد *1، محسن افتاده2 1دانشگاه پیام نور مرکز اصفهان 2دانشگاه پیام نور اصفهان |
| چکیده مقاله |
| In this paper, to understand the electronic properties and conductivity of SiNWs, we have performed the band structure calculations of SiNWs in different modes of pure and boron-doped. The calculation of this work is based on the DFT method by using the method of augmented plane waves and norm-conserving potential in Quantum Espresso and Wannier 90 computational package with the generalized gradient approximation (GGA) for exchange-correlation. Quantum conduction bands occur where energy bands have high scattering. Doping of the nanowire with B indicates that the doped produced a p-type semiconductor. The band gap of the B-doped silicon nanowire is straight. |
| کلیدواژه ها |
| Silicon Nanowires; Conductivity; Quantum Espresso; Density Functional Theory |
| وضعیت: پذیرفته شده برای ارائه شفاهی |