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

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.
Authors:
; ; ;  [1]
  1. College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China)
Publication Date:
OSTI Identifier:
22413171
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 8; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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