Irradiation-induced magnetism in graphite: a density functional study
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en
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4
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Physical Review Letters, Volume 93, issue 18, pp. 1-4
Abstract
Recent experiments indicate that proton irradiation triggers ferromagnetism in originally nonmagnetic graphite samples while He ion bombardment has a much smaller effect. To understand the origin of irradiation-induced magnetism, we have performed spin-polarized density functional theory calculations of the magnetic properties of the defects which are most likely to appear under irradiation vacancies and vacancy-hydrogen complexes. Both defects are magnetic, but as for the latter we find that H adsorption on one of the vacancy dangling bonds gives rise to a magnetic moment double that of the naked vacancy. We show that for small irradiation doses vacancy-hydrogen complexes result in a macroscopic magnetic signal which agrees well with the experimental values.Description
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Lehtinen, P O, Foster, A S, Ma, Y, Krasheninnikov, A V & Nieminen, R M 2004, 'Irradiation-induced magnetism in graphite: a density functional study', Physical Review Letters, vol. 93, no. 18, 187202, pp. 1-4. https://doi.org/10.1103/PhysRevLett.93.187202