First-principles calculations of electronic properties of P -Si3N4 and P -Si3N4 under pressure

DOI

10.2991/icmmita-16.2016.38How to use a DOI?

Keywords

First-principles; Electronic property; High pressure

Abstract

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.

Copyright

© 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/).

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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  -