Abstract
Based on our first-principle calculations, ZnO doped by a nonmagnetic light element (N) is predicted to be ferromagnetic. The local magnetic moments that are mainly localized on doped N atoms introduced total moments of . The long-range magnetic coupling of N-doped ZnO can be attributed to a exchange-like coupling interaction involving holes, which is derived from the similar symmetry and wave function between the impurity (-like ) and valence 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.
- Received 22 May 2008
DOI:https://doi.org/10.1103/PhysRevB.78.073306
©2008 American Physical Society