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

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.
Authors:
; ; ; ; ; ;  [1] ; ;  [1] ;  [2]
  1. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing 100190 (China)
  2. (China)
Publication Date:
OSTI Identifier:
22399302
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 11; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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