First-principles calculations of electronic properties of P -Si3N4 and P -Si3N4 under pressure
Xiaoqian Wang, Hui Lv, Yanhua Yin, Mei Sun
Available Online January 2017.
- 10.2991/icmmita-16.2016.38How to use a DOI?
- First-principles; Electronic property; High pressure
Using first-principles computations, the structural, electronic properties of P - and P -Si3N4 in the pressure ranges of 40-50 GPa were investigated systematically, and the band structures and density of states have been analyzed in detail. the results show both P - and P -Si3N4 are insulators, and there have no structural phase transformation under the pressure 40-50GPa.
- © 2017, the Authors. Published by Atlantis Press.
- Open Access
- This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).
Cite this article
TY - CONF AU - Xiaoqian Wang AU - Hui Lv AU - Yanhua Yin AU - Mei Sun PY - 2017/01 DA - 2017/01 TI - First-principles calculations of electronic properties of P -Si3N4 and P -Si3N4 under pressure BT - Proceedings of the 2016 4th International Conference on Machinery, Materials and Information Technology Applications PB - Atlantis Press SP - 211 EP - 215 SN - 2352-538X UR - https://doi.org/10.2991/icmmita-16.2016.38 DO - 10.2991/icmmita-16.2016.38 ID - Wang2017/01 ER -