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IOP Publishing, Journal of Physics: Condensed Matter, 4(22), p. 046001, 2010

DOI: 10.1088/0953-8984/22/4/046001

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The role of sp-hybridized atoms in carbon ferromagnetism: A spin-polarized density functional theory calculation

Journal article published in 2010 by X. F. Fan, L. Liu, R. Q. Wu, G. W. Peng, H. M. Fan ORCID, Y. P. Feng, J.-L. Kuo, Z. X. Shen
This paper is available in a repository.
This paper is available in a repository.

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Abstract

We address the room-temperature (RT) carbon ferromagnetism by considering the magnetic states of low-dimensional carbons linked by sp-hybridized carbon atoms. Based on the spin-polarized density functional theory calculations, we find that the sp(*) orbitals of carbon atoms can bring magnetic moments into different carbon allotropes which may eventually give rise to the long-range ferromagnetic ordering at room temperature through an indirect carrier-mediated coupling mechanism. The fact that this indirect coupling is Fermi-level-dependent predicts that the individual magnetism of diverse carbon materials is governed by their chemical environments. This mechanism may help to illuminate the RT magnetic properties of carbon-based materials and to explore the new magnetic applications of carbon materials.