• 文献标题:   Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone
  • 文献类型:   Article
  • 作  者:   LEBEDIEVA T, GUBANOV V, DOVBESHKO G, PIDHIRNYI D
  • 作者关键词:   quantumchemical calculation, brillouin zone, cars, discrete breather, graphene
  • 出版物名称:   NANOSCALE RESEARCH LETTERS
  • ISSN:   1931-7573 EI 1556-276X
  • 通讯作者地址:   NAS Ukraine
  • 被引频次:   2
  • DOI:   10.1186/s11671-015-0945-9
  • 出版年:   2015

▎ 摘  要

Different notations of graphene irreducible representations and optical modes could be found in the literature. The goals of this paper are to identify the correspondence between available notations, to calculate the optical modes of graphene in different points of the Brillouin zone, and to compare them with experimental data obtained by Raman and coherent anti-Stokes Raman scattering (CARS) spectroscopy. The mechanism of the resonance enhancement of vibration modes of the molecules adsorbed on graphene in CARS experiments is proposed. The possibility of appearance of the discrete breathing modes is discussed.