Physics – Condensed Matter – Materials Science
Scientific paper
2008-02-12
Phys. Rev. Lett. 101, 037203 (2008)
Physics
Condensed Matter
Materials Science
4 pages, 3 figures
Scientific paper
10.1103/PhysRevLett.101.037203
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I conclude that only single-atom defects can induce ferromagnetism in graphene-based materials. The preserved stacking order of graphene layers is shown to be another necessary condition for achieving a finite net magnetic moment of irradiated graphite. Ab initio calculations of hydrogen binding and diffusion and of interstitial-vacancy recombination further confirm the crucial role of stacking order in $\pi$-electron ferromagnetism of proton-bombarded graphite.
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