Quantum Interference Effects in Resonant Raman Spectroscopy of Single- and Triple-Layer MoTe2 from First-Principles

We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe2. Raman intensities are computed entirely from first-principles by calculating finite differences of the dielectric susceptibility. In our analysis, we investigate the role of qua...

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Bibliographic Details
Published in:Nano letters 2017-04, Vol.17 (4), p.2381-2388
Main Authors: Miranda, Henrique P. C, Reichardt, Sven, Froehlicher, Guillaume, Molina-Sánchez, Alejandro, Berciaud, Stéphane, Wirtz, Ludger
Format: Article
Language:English
Subjects:
Engineering Sciences
Other
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Summary:We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe2. Raman intensities are computed entirely from first-principles by calculating finite differences of the dielectric susceptibility. In our analysis, we investigate the role of quantum interference effects and the electron–phonon coupling. With this method, we explain the experimentally observed intensity inversion of the A1 ′ vibrational modes in triple-layer MoTe2 with increasing laser photon energy. Finally, we show that a quantitative comparison with experimental data requires the proper inclusion of excitonic effects.
ISSN:1530-6984
1530-6992
DOI:10.1021/acs.nanolett.6b05345