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arxiv: 0802.1735 · v3 · submitted 2008-02-12 · ❄️ cond-mat.mtrl-sci · cond-mat.dis-nn· cond-mat.mes-hall· cond-mat.str-el

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Magnetism in Disordered Graphene and Irradiated Graphite

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classification ❄️ cond-mat.mtrl-sci cond-mat.dis-nncond-mat.mes-hallcond-mat.str-el
keywords graphenegraphitedisorderedirradiatedcalculationsferromagnetismmagneticorder
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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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