Defect-induced ferromagnetism in fullerenes

Details Defect-induced ferromagnetism in fullerenes Defect-induced ferromagnetism in fullerenes

2007-12-18

arxiv.org/abs/0712.2928v2

The European Physical Journal B 68(4), 529-535 (2009)

Physics

Condensed Matter

Materials Science

11 pages, 7 figures, final version to be published in Eur. Phys. J B

Scientific paper

10.1140/epjb/e2009-00119-2

Based on the ab initio electronic structure calculations the picture of ferromagnetism in polimerized C60 is proposed which seems to explain the whole set of controversial experimental data. We have demonstrated that, in contrast with cubic fullerene, in rhombohedral C60 the segregation of iron atoms is energetically unprofitable which is a strong argument in favor of intrinsic character of carbon ferromagnetism which can be caused by vacancies with unpaired magnetic electrons. It is shown that: (i) energy formation of the vacancies in the rhombohedral phase of C60 is essentially smaller than in the cubic phase, (ii) there is a strong ferromagnetic exchange interactions between carbon cages containing the vacancies, and (iii) the fusion of the magnetic vacancies into nonmagnetic bivacancy is energetically profitable. The latter can explain a fragility of the ferromagnetism.

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