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Title: Modification of the G-phonon mode of graphene by nitrogen doping

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We show that the bond length change and the long range interaction of point defects are possible mechanisms responsible for the oscillatory behavior of the G frequency as a function of nitrogen concentration. At the same time, Friedel charge oscillations are unlikely to contribute to this behavior.
Authors:
;  [1] ; ;  [2] ; ;  [3] ;  [4] ;  [5] ;  [2] ;  [5] ;  [1] ;  [5]
  1. Department of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614 (United States)
  2. Department of Physics, Columbia University, New York, New York 10027 (United States)
  3. Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588 (United States)
  4. Materials Research Science and Engineering Center, Columbia University, New York, NY 10027 (United States)
  5. (United States)
Publication Date:
OSTI Identifier:
22489349
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 108; Journal Issue: 4; Other Information: (c) 2016 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; ATOMS; BOND LENGTHS; DOPED MATERIALS; GRAPHENE; IMPURITIES; INTERACTION RANGE; NITROGEN; PHONONS; POINT DEFECTS