title: Quantum Interference Effects in Resonant Raman Spectroscopy of Single- and Triple-Layer MoTe2from First-Principles.
abstract: 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 MoTe2with increasing laser photon energy. Finally, we show that a quantitative comparison with experimental data requires the proper inclusion of excitonic effects.
authors.affiliation: Physics and Materials Science Research Unit, University of Luxembourg , 162a avenue de la Faïencerie, L-1511 Luxembourg, Luxembourg , EU.
authors.forename: Henrique P C
authors.initials: HP
authors.lastname: Miranda
authors.affiliation: Physics and Materials Science Research Unit, University of Luxembourg , 162a avenue de la Faïencerie, L-1511 Luxembourg, Luxembourg , EU.|JARA-FIT and 2nd Institute of Physics , Otto-Blumenthal-Straße, 52074 Aachen, Germany , EU.
authors.forename: Sven
authors.initials: S
authors.lastname: Reichardt
authors.affiliation: Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), Université de Strasbourg, CNRS , UMR 7504, F-67000 Strasbourg, France , EU.
authors.forename: Guillaume
authors.initials: G
authors.lastname: Froehlicher
authors.affiliation: Physics and Materials Science Research Unit, University of Luxembourg , 162a avenue de la Faïencerie, L-1511 Luxembourg, Luxembourg , EU.
authors.forename: Alejandro
authors.initials: A
authors.lastname: Molina-Sánchez
authors.affiliation: Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), Université de Strasbourg, CNRS , UMR 7504, F-67000 Strasbourg, France , EU.
authors.forename: Stéphane
authors.initials: S
authors.lastname: Berciaud
authors.affiliation: Physics and Materials Science Research Unit, University of Luxembourg , 162a avenue de la Faïencerie, L-1511 Luxembourg, Luxembourg , EU.
authors.forename: Ludger
authors.initials: L
authors.lastname: Wirtz
keywords: Resonant Raman spectroscopy; electron−phonon interaction; excitonic effects; first-principles calculations; transition metal dichalcogenides; two-dimensional materials