2011/01/21 by Norio Ota, Ota, Norio, Narjes Gorjizadeh +3
Engineering · Materials Science · Physics and Astronomy · #Advancements in Battery Materials #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Graphene research and applications #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #cond-mat.mes-hall
paper · pdf · doi:10.48550/arxiv.1101.4079
13 pages, 9 figures
arxiv created 2011/01/21 · openalex publication_date 2011/01/21 · arxiv updated 2011/01/24 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
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.