Modification of the G-phonon mode of graphene by nitrogen dopingFaculty Publications from Nebraska Center for Materials and Nanoscience
Date of this Version1-1-2016
APPLIED PHYSICS LETTERS 108, 041907 (2016)
AbstractThe 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.
Citation InformationPavel V. Lukashev, Liuyan Zhao, Tula R. Paudel, Theanne Schiros, et al.. "Modification of the G-phonon mode of graphene by nitrogen doping" (2016)
Available at: http://works.bepress.com/rui-he/12/