Irradiation-Induced Magnetism in Graphite: A Density Functional Study
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© 2004 American Physical Society (APS). This is the accepted version of the following article: Lehtinen, P. O. & Foster, Adam S. & Ma, Yuchen & Krasheninnikov, A. V. & Nieminen, R. M.. 2004. Irradiation-Induced Magnetism in Graphite: A Density Functional Study. Physical Review Letters. Volume 93, Issue 18. 187202/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.93.187202, which has been published in final form at http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.93.187202.
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Date
2004
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Language
en
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187202/1-4
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Physical Review Letters, Volume 93, Issue 18
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
Keywords
carbon, magnetism, irradiation
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Citation
Lehtinen, P. O. & Foster, Adam S. & Ma, Yuchen & Krasheninnikov, A. V. & Nieminen, R. M.. 2004. Irradiation-Induced Magnetism in Graphite: A Density Functional Study. Physical Review Letters. Volume 93, Issue 18. 187202/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.93.187202.