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An unusual spin-polarized electron state in fullerene induced by carbon adatom defects

Abstract

First-principles calculations show that the carbon adatom defect at Def[5, 6] site, on the surface of C60, can produce a more stable spin-polarized singlet electronic state, instead of magnetic triplet state. This result is obviously different from the cases of the graphene and nanotubes. Its mechanism comes down to the electron population of adatom, which produce the antiferromagnetic coupling around the adatom itself and the C60 cage. Our calculations show the same condition occurs in other IPR fullerenes such as C70 and C80. These findings extend the understanding of the magnetic origin of pure carbon structures, and need to be valued in researches related to the spin polarization of carbon systems.

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Publication details

The article was received on 02 Apr 2017, accepted on 12 May 2017 and first published on 16 May 2017


Article type: Paper
DOI: 10.1039/C7NR02335A
Citation: Nanoscale, 2017, Accepted Manuscript
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    An unusual spin-polarized electron state in fullerene induced by carbon adatom defects

    D. Xu, Y. Gao, W. Jiang and Z. Wang, Nanoscale, 2017, Accepted Manuscript , DOI: 10.1039/C7NR02335A

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