Article (Scientific journals)
Ab initio calculation of the G peak intensity of graphene: Laser-energy and Fermi-energy dependence and importance of quantum interference effects
Reichardt, Sven; Wirtz, Ludger
2017In Physical Review. B, 95 (19), p. 195422
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Keywords :
graphene; Raman spectroscopy; electron-phonon coupling; ab-initio calculations
Abstract :
[en] We present the results of a diagrammatic, fully ab initio calculation of the G peak intensity of graphene. The flexibility and generality of our approach enables us to go beyond the previous analytical calculations in the low-energy regime. We study the laser and Fermi energy dependence of the G peak intensity and analyze the contributions from resonant and nonresonant electronic transitions. In particular, we explicitly demonstrate the importance of quantum interference and nonresonant states for the G peak process. Our method of analysis and computational concept is completely general and can easily be applied to study other materials as well.
Disciplines :
Physics
Author, co-author :
Reichardt, Sven ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Wirtz, Ludger ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
External co-authors :
yes
Language :
English
Title :
Ab initio calculation of the G peak intensity of graphene: Laser-energy and Fermi-energy dependence and importance of quantum interference effects
Publication date :
22 May 2017
Journal title :
Physical Review. B
ISSN :
2469-9969
Publisher :
American Physical Society
Volume :
95
Issue :
19
Pages :
195422
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
FnR Project :
FNR10196198 - Calculation Of Raman Spectra Of Graphene In Various Conditions With A Semi-empirical Approach, 2015 (15/02/2015-31/03/2018) - Sven Reichardt
Available on ORBilu :
since 23 May 2017

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