Tuning magnetic splitting of zigzag graphene nanoribbons by edge functionalization with hydroxyl groups

Journal Article · Sat Mar 21 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4915337· OSTI ID:22399302

Zhang, Huizhen; Yang, Haifang; Li, Lin; Fu, Huixia; Ma, Wei; Niu, Chunyao; Sun, Jiatao ^[1]; Meng, Sheng; Gu, Changzhi ^[1]

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1. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing 100190 (China)

The electronic properties and relative stability of zigzag graphene nanoribbons are studied by varying the percentage of hydroxyl radicals for edge saturation using first principle calculations. The passivated structures of zigzag graphene nanoribbon have spin-polarized ground state with antiferromagnetic exchange coupling across the edge and ferromagnetic coupling along the edges. When the edges are specially passivated by hydroxyl, the potentials of spin exchange interaction across the two edges shift accordingly, resulting into a spin-semiconductor. Varying the concentration of hydroxyl groups can alter the maximum magnetization splitting. When the percentage of asymmetrically adsorbed hydroxyl reaches 50%, the magnetization splitting can reach a value as high as 275 meV due to the asymmetrical potential across the nanoribbon edges. These results would favor spintronic device applications based on zigzag graphene nanoribbons.

• OSTI ID: 22399302
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 11 Vol. 117; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
77 NANOSCIENCE AND NANOTECHNOLOGY
ANTIFERROMAGNETISM
CONCENTRATION RATIO
COUPLING
ECOLOGICAL CONCENTRATION
GRAPHENE
GROUND STATES
HYDROXIDES
HYDROXYL RADICALS
MAGNETIZATION
NANOSTRUCTURES
PHASE STABILITY
POTENTIALS
SEMICONDUCTOR MATERIALS
SPIN
SPIN EXCHANGE
SPIN ORIENTATION