Double resonance Raman spectra of graphene : a full 2D calculation

Visible range Raman spectra of graphene are generated based on the double resonant process employing a full two-dimensional numerical calculation applying second-order perturbation theory. Tight binding expressions for both the TO phonon dispersion and the [pi] - [pi]* electronic bands are used, which are then fit to experimental or ab-initio results. We are able to reproduce the single-peak D mode of graphene at ~ 1380 cm-1 that is identical to experiment. A near linear shift in the D mode peak with changing incoming laser energy of 33 cm-1/eV is calculated. Our shift marginally underestimates the experimental shifts as most of the literature features specimens that contain a few or more layers of graphene through to graphite that ought to subtly alter their electronic and phonon dispersions. However, our approach is readily applicable to such homologous forms of graphene once we have available their electronic band structure and phonon dispersions.

Department dc:contributor.department

Massachusetts Institute of Technology. Dept. of Materials Science and Engineering.

Grantor dc:publisher

Massachusetts Institute of Technology

Year dc:date.issued

2007

Author dc:creator

• Narula, Rohit

Advisor dc:contributor.advisor

• Stephanie Reich.

• Materials Science and Engineering.

Statement dc:rights

• M.I.T. theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. See provided URL for inquiries about permission.

Licence dc:rights.uri

• http://dspace.mit.edu/handle/1721.1/7582

Language dc:language.iso

eng

Handle dc:identifier.uri

http://hdl.handle.net/1721.1/42161

OAI identifier oai:identifier

oai:dspace.mit.edu:1721.1/42161