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Title: Mechanism of ferromagnetism in nitrogen-doped ZnO: First-principle calculations
Authors: Shen, L. 
Wu, R.Q. 
Pan, H.
Peng, G.W. 
Yang, M. 
Sha, Z.D.
Feng, Y.P. 
Issue Date: 29-Aug-2008
Citation: Shen, L., Wu, R.Q., Pan, H., Peng, G.W., Yang, M., Sha, Z.D., Feng, Y.P. (2008-08-29). Mechanism of ferromagnetism in nitrogen-doped ZnO: First-principle calculations. Physical Review B - Condensed Matter and Materials Physics 78 (7) : -. ScholarBank@NUS Repository.
Abstract: Based on our first-principle calculations, ZnO doped by a nonmagnetic 2p light element (N) is predicted to be ferromagnetic. The local magnetic moments that are mainly localized on doped N atoms introduced total moments of 1.0 μB /atom. The long-range magnetic coupling of N-doped ZnO can be attributed to a p-d exchange-like p-p coupling interaction involving holes, which is derived from the similar symmetry and wave function between the impurity (p -like t2) and valence (p) states. We also propose a codoping mechanism, using beryllium and nitrogen as dopants in ZnO, to enhance the ferromagnetic coupling and to increase the solubility and activity. © 2008 The American Physical Society.
Source Title: Physical Review B - Condensed Matter and Materials Physics
ISSN: 10980121
DOI: 10.1103/PhysRevB.78.073306
Appears in Collections:Staff Publications

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