Quantum interference effects in resonant Raman spectroscopy of single- and triple-layer MoTe${}_2$ from first principles

Abstract

We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe${}_2$. 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 $A_1^{\prime }$ 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.

Main Text (5 Figures, 1 Tables) + Supporting Information (6 Figures)

References in corpus (5)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Anomalous excitonic resonance Raman effects in few-layer MoS2
• Double resonance Raman modes in mono- and few-layer MoTe${}_2$
• Newly observed first-order resonant Raman modes in few-layer MoS${}_2$
• Splitting of the monolayer out-of-plane A'1 Raman mode in few-layer WS2

Cited by in corpus (2)

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