Density-Functional Study on the Origin of Ferromagnetism in Copper Doped Aluminium Nitride

DOI

10.2991/eame-15.2015.74How to use a DOI?

Keywords

ferromagnetism; cu-doped AlN; intrinsic vacancies; first-principles study

Abstract

Recently, room-temperature ferromagnetism was reported in Cu-doped AlN film. However, a systematic study on the magnetic mediation of intrinsic vacancy is still absent and the origin of ferromagnetism of Cu-doped AlN remains unclear. We investigate the magnetic properties of Cu-doped AlN by first-principles calculations. Our results reveal that the ferromagnetism is very weak for Cu substitution only. However, both the anion and cation vacancies can mediate the ferromagnetism effectively. Under the N-poor conditions, the defect complex with N vacancy has much lower formation energy and the origin of ferromagnetism can be attributed to the N-vacancy mediated p-d hybridization.

Copyright

© 2015, 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  - H.M. Zhao
PY  - 2015/07
DA  - 2015/07
TI  - Density-Functional Study on the Origin of Ferromagnetism in Copper Doped Aluminium Nitride
BT  - Proceedings of the 2015 International Conference on Electrical, Automation and Mechanical Engineering
PB  - Atlantis Press
SP  - 271
EP  - 274
SN  - 2352-5401
UR  - https://doi.org/10.2991/eame-15.2015.74
DO  - 10.2991/eame-15.2015.74
ID  - Zhao2015/07
ER  -