Switching on magnetism in Ni-doped graphene: Density functional calculations

E.J.G. Santos, A. Ayuela, S.B. Fagan, J. Mendes Filho, D.L. Azevedo, A.G. Souza Filho, D. Sánchez-Portal

Research output: Contribution to journalArticlepeer-review


Magnetic properties of graphenic carbon nanostructures, which are relevant for future spintronic applications, depend crucially on doping and on the presence of defects. In this paper we study the magnetism of the recently detected substitutional Ni (Nisub) impurities. Nisub defects are nonmagnetic in flat graphene and develop a nonzero-spin moment only in metallic nanotubes. This surprising behavior stems from the peculiar curvature dependence of the electronic structure of Nisub. A similar magnetic-nonmagnetic transition of Nisub can be expected by applying anisotropic strain to a flat graphene layer
Original languageEnglish
JournalPhysical review B: Condensed matter and materials physics
Publication statusPublished - 19 Nov 2008

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