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|Title:||Mechanism of ferromagnetism in nitrogen-doped ZnO: First-principle calculations||Authors:||Shen, L.
|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. https://doi.org/10.1103/PhysRevB.78.073306||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||URI:||http://scholarbank.nus.edu.sg/handle/10635/76469||ISSN:||10980121||DOI:||10.1103/PhysRevB.78.073306|
|Appears in Collections:||Staff Publications|
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