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IPM
30
YEARS OLD

“School of Nano-Sciences”

Paper   IPM / Nano-Sciences / 14205
   School of Nano Science
  Title: Adsorption-site dependence of electronic and magnetic properties of hydrogen impurities on bilayer graphene
  Author(s):
1 . Mahboobeh Mirzadeh
2 . Mani Farjam
  Status: Published
  Journal: Int. J. Mod. Phys. B
  No.: 28
  Vol.: 29
  Year: 2015
  Pages: 1550198(1-9)
  Publisher(s): World Scientific Publishing Company
  Supported by: IPM
  Abstract:
In bilayer graphene, the A and B sites in each layer have different local electronic structures due to the presence of the second layer. In this work, using first-principles calculations, we examine the effect of sublattice inequivalence on various properties of hydrogen defects in bilayer graphene. Density functional calculations show that induced magnetic moments by H adsorption on A and B sites of bilayer graphene are both equal to 1 µB at zero temperature, but change slightly and develop a mismatch at finite temperature. We show how this variation follows from the fact that H on A site remains gapless but H on B site opens an energy gap. We also use a tight-binding model to explain the differences in band structures for H adsorption on A and B sites. The results obtained in this work suggest that there are important differences in electronic and magnetic properties between H adsorption on monolayer and bilayer graphene.


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