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https://doi.org/10.1103/PhysRevB.78.073306
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. 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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