Ferromagnetism in Carbon doped Zinc Oxide Systems

Details Ferromagnetism in Carbon doped Zinc Oxide Systems Ferromagnetism in Carbon doped Zinc Oxide Systems

2009-05-04

arxiv.org/abs/0905.0366v1

Physics

Condensed Matter

Materials Science

11 pages, 9 figures

Scientific paper

We report spin polarized density functional calculations of ferromagnetic properties of a series of ZnO clusters and solid containing one or two substitutional carbon impurities. We analyze the eigen value spectra, spin densities and molecular orbitals, and induced magnetic moments for ZnC, Zn$_{2}$C, Zn$_{2}$OC, carbon substituted clusters Zn$_{n}$O$_{n}$ (n=3--10, 12) and ZnO solid. The results show that the doping induces magnetic moment of the $\sim$2 $\mu_{B}$ in all the cases. All the systems with two carbon impurities show ferromagnetic interaction except when the carbon atoms share the same Zn atom as the nearest neighbor. This ferromagnetic interaction is predominantly mediated via $\pi$ bonds in ring structures and through $\pi$ and $\sigma$ bonds in three dimensional structure. The calculations also show that the interaction is significantly enhanced in solid, bringing out the role of dimensionality of Zn-O network connecting two carbon atoms.

Affiliated with

Also associated with

No associations

Rating

Ferromagnetism in Carbon doped Zinc Oxide Systems does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Ferromagnetism in Carbon doped Zinc Oxide Systems, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ferromagnetism in Carbon doped Zinc Oxide Systems will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-199467