Magnetic property and possible half-metal behavior in Co-doped graphene

Journal Article · Sat Feb 28 00:00:00 EST 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4913387· OSTI ID:22413171

Li, Zhongyao; Xie, Wenze; Liu, Xingen; Wu, Yong ^[1]

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1. College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China)

The magnetic property and band structures of Co-monolayer doped graphene were examined on the basis of density-functional theory. The magnetic moment of the system is closely related to the interfacial spacing. Magnetic-nonmagnetic transition would be produced by decreasing the layer distance. Although the magnetic moment can also be reduced by increasing the lattice constant, the ground states are magnetic states under tension. Besides, the increase of lattice constant greatly enlarges the direct and indirect gaps of spin-down bands near the Fermi level. With a little increase of the Fermi level or the electron density, half-metal behavior would be expectable in the Co-doped graphene under tension.

• OSTI ID: 22413171
• Journal Information: Journal of Applied Physics, Vol. 117, Issue 8; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COBALT
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
ELECTRON DENSITY
ELECTRONIC STRUCTURE
FERMI LEVEL
GRAPHENE
GROUND STATES
INTERFACES
LATTICE PARAMETERS
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
PHASE TRANSFORMATIONS
SPIN