Using first principles calculations based on the density functional theory and generalized gradient approximation we show that the ground state of Mn doped ZnO (1010) thin film changes from antiferromagnetic to ferromagnetic when codoped with N. The ferromagnetic coupling between Mn spins arises due to the overlap between N 2p and Mn 3d electrons in the spin up band, rendering the system half-metallic character.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2004 Aug|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics