Asymmetric nano graphene model applied to graphite-like room-temperature ferromagnetism

Details Asymmetric nano graphene model applied to graphite-like room-temperature ferromagnetism Asymmetric nano graphene model applied to graphite-like room-temperature ferromagnetism

2011-01-21

arxiv.org/abs/1101.4079v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

13 pages, 9 figures

Scientific paper

Room temperature ferromagnetic materials composed only by light elements like carbon, hydrogen and/or nitrogen, so called carbon magnet, are very attractive for creating new material categories both in science and industry. Recently several experiments suggest ferromagnetic features at a room temperature, especially in graphite base materials. This paper reveals a mechanism of such ferromagnetic features by modeling nanometer size asymmetric graphene molecule by using both a semi-empirical molecular orbital method and a first principle density function theory. Asymmetrically dihydrogenated zigzag edge graphene molecule shows that high spin state is more stable in total molecular energy than low spin state. Proton ion irradiation play an important role to create such asymmetric features. Also, nitrogen contained graphite ferromagnetism is explained by a similar asymmetric molecule model.

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