Ferromagnetism driven by fluorine interstitials in MgO: A first-principles prediction

DOI

10.2991/icmcm-16.2016.145How to use a DOI?

Keywords

first-principles; MgO; fluorine interstitial; ferromagnetism

Abstract

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.

Copyright

© 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/).

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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  -