Vibrational property and Raman spectrum of carbon nanoribbon

The vibrational property and Raman spectra of carbon nanoribbons (CNRs) have been systematically studied by the density functional theory in the local density approximation. It is found that for all CNRs there are three typical Raman-active modes, i.e., the radial-breathing-like mode (RBLM), the localized mode and the graphene E-2g-like one, which are helpful to identify different CNRs in the Raman experiments. Among them, the RBLM is the most characteristic one, whose frequency decreases with the increasing CNR width in a linear proportion to the inverse square root of the width, making it very useful to determine the CNR width experimentally. (C) 2007 American Institute of Physics.