Ferromagnetism driven by fluorine interstitials in MgO: A first-principles prediction
Hui Zhao, Yan Zhao
Available Online December 2016.
- 10.2991/icmcm-16.2016.145How to use a DOI?
- first-principles; MgO; fluorine interstitial; ferromagnetism
Our first-principles calculations based on density functional theory predicted a new path for the formation of sp-ferromagnetic states: anion interstitials. The fluorine interstitials in MgO were found to be spin polarized and are more stable in the ferromagnetic state. This observation is attributed to the strong p-p interaction between the interstitial F and the neighboring O atoms. We demonstrate that F-doped MgO is potential p-type half-metallic ferromagnets, and the source of magnetism is the spin triplet state splitting associated with p-p coupling, and ferromagnetism between interstitial atoms in these systems can be mediated by spin polarized holes.
- © 2016, 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 - Hui Zhao AU - Yan Zhao PY - 2016/12 DA - 2016/12 TI - Ferromagnetism driven by fluorine interstitials in MgO: A first-principles prediction BT - Proceedings of the 2016 7th International Conference on Mechatronics, Control and Materials (ICMCM 2016) PB - Atlantis Press SP - 762 EP - 766 SN - 2352-5401 UR - https://doi.org/10.2991/icmcm-16.2016.145 DO - 10.2991/icmcm-16.2016.145 ID - Zhao2016/12 ER -