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

doi:10.1103/PhysRevB.78.195420

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

School of Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

Abstract

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 language	English
Journal	Physical review B
DOIs	https://doi.org/10.1103/PhysRevB.78.195420
Publication status	Published - 19 Nov 2008

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10.1103/PhysRevB.78.195420

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title = "Switching on magnetism in Ni-doped graphene: Density functional calculations",

abstract = "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",

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year = "2008",

month = nov,

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doi = "10.1103/PhysRevB.78.195420",

language = "English",

journal = "Physical review B",

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T1 - Switching on magnetism in Ni-doped graphene: Density functional calculations

AU - Santos, E.J.G.

AU - Ayuela, A.

AU - Fagan, S.B.

AU - Mendes Filho, J.

AU - Azevedo, D.L.

AU - Souza Filho, A.G.

AU - Sánchez-Portal, D.

PY - 2008/11/19

Y1 - 2008/11/19

N2 - 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

AB - 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

UR - https://www.scopus.com/pages/publications/57149129871

U2 - 10.1103/PhysRevB.78.195420

DO - 10.1103/PhysRevB.78.195420

M3 - Article

SN - 1098-0121

JO - Physical review B

JF - Physical review B

ER -

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

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