Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone

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...

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Detalles Bibliográficos
Autores principales: Lebedieva, Tetiana, Gubanov, Victor, Dovbeshko, Galyna, Pidhirnyi, Denys
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2015
Materias:
Nano Express
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4506279/
https://www.ncbi.nlm.nih.gov/pubmed/26168865
http://dx.doi.org/10.1186/s11671-015-0945-9
Descripción
Sumario: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.

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