A DFT Study of the Structure and Properties of Nitrogen Doping Spinel MgAl2O3.5N0.5
Abstract
We use DFT calculation to study a possible nitrogen-doped spinel, including its structure and electronic properties. we also compare the stability of this spinel and the prefect spinel at high pressure.
- Publication:
-
82nd Annual Meeting of The Meteoritical Society
- Pub Date:
- July 2019
- Bibcode:
- 2019LPICo2157.6299L