Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1592726 | Solid State Communications | 2012 | 4 Pages |
The electronic and magnetic properties of N-doped ZnO nanosheets are investigated by density functional theory using local spin density approximation. The results show that in an isolated N-doped ZnO nanosheet, there is a clear spontaneous polarization of N 2p state with a magnetic moment 1.0 μB/N. We also find that the doped nitrogen atoms in ZnO nanosheets have a clustering tendency with ferromagnetic coupling between them, and thus a high room-temperature ferromagnetic nature is expected. The ferromagnetic coupling in N-doped ZnO nanosheets can be attributed to the hole-mediated double-exchange mechanism through strong p–d interaction between nitrogen and zinc atoms.
► In N-doped ZnO NS, there is a spontaneous polarization with magnetic moment 1.0 μB/N. ► The ferromagnetic coupling can be attributed between nitrogen and zinc atoms. ► N atoms in ZnO nanosheets have a clusting tendency with ferromagnetic coupling.