Magnetism in intercalated graphene

Journal Article · Mon May 23 04:00:00 EDT 2016 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4948146· OSTI ID:22608857

Ali, Sajid ^[1]; Nanda, B. R. K. ^[2]

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1. Department of Electrical Engineering, Indian Institute of Technology Madras, Chennai – 600036 (India)
2. Department of Physics, Indian Institute of Technology Madras, Chennai – 600036 (India)

Using density functional calculations we explore the possibilities of inducing spin moments in otherwise non-magnetic electronic structure of graphene. Through intercalation of H, N, O and F atoms between two hexagonal stacked graphene layers, we show that unpaired electrons can be generated when the planar coordinates of the functional atoms coincide with the center of the graphene hexagon. The spin-half states are realized at the functional sites for certain values of interlayer separations. For oxygen and fluorine these interlayer separations represent the natural stable phases and for hydrogen and nitrogen they induce instability which can be overcome by applying external pressure. We attribute the formation of spin-half states to the one dimensional confinement potential exerted by the graphene layers on the valence electrons of the functional elements.

• OSTI ID: 22608857
• Journal Information: AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1731; ISSN APCPCS; ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
ATOMS
CLATHRATES
CONFINEMENT
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
ELECTRONS
FLUORINE
GRAPHENE
HYDROGEN
INSTABILITY
LAYERS
MAGNETISM
NITROGEN
ONE-DIMENSIONAL CALCULATIONS
OXYGEN
SPIN
VALENCE