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

## TL;DR

This study combines experimental and first-principles theoretical approaches to analyze quantum interference effects in resonant Raman spectroscopy of single- and triple-layer MoTe$_2$, revealing the importance of excitonic effects for accurate modeling.

## Contribution

It introduces a first-principles method to compute Raman intensities and explains intensity inversion phenomena in MoTe$_2$ by considering quantum interference and electron-phonon coupling.

## Key findings

- Quantum interference affects Raman intensities in MoTe$_2$.
- Intensity inversion of vibrational modes explained by the model.
- Including excitonic effects improves agreement with experiments.

## 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 $A^\prime_1$ 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.