Nonadiabatic exciton-phonon coupling in Raman spectroscopy of layered materials.
Sci Adv
; 6(32): eabb5915, 2020 Aug.
Article
en En
| MEDLINE
| ID: mdl-32821840
We present an ab initio computational approach for the calculation of resonant Raman intensities, including both excitonic and nonadiabatic effects. Our diagrammatic approach, which we apply to two prototype, semiconducting layered materials, allows a detailed analysis of the impact of phonon-mediated exciton-exciton scattering on the intensities. In the case of bulk hexagonal boron nitride, this scattering leads to strong quantum interference between different excitonic resonances, strongly redistributing oscillator strength with respect to optical absorption spectra. In the case of MoS2, we observe that quantum interference effects are suppressed by the spin-orbit splitting of the excitons.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Sci Adv
Año:
2020
Tipo del documento:
Article
País de afiliación:
Luxemburgo
Pais de publicación:
Estados Unidos