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Optical Spectrum ofMoS2: Many-Body Effects and Diversity of Exciton States

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Qiu, Diana Y., da Jornada, Felipe H., Louie, Steven G.·2013·Physical Review Letters

Abstract

We present first-principles calculations of the optical response of monolayer molybdenum disulfide employing the GW-Bethe-Salpeter equation (GW-BSE) approach including self-energy, excitonic, and electron-phonon effects. We show that monolayer MoS2 possesses a large and diverse number of strongly bound excitonic states with novel k-space characteristics that were not previously seen experimentally or theoretically. The absorption spectrum is shown to be dominated by excitonic states with a binding energy close to 1 eV and by strong electron-phonon broadening in the visible to ultraviolet range. Our results explain recent experimental measurements and resolve inconsistencies between previous GW-BSE calculations.

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Metadata

Authors
Qiu, D. Y., da Jornada, F. H., & Louie, S. G.
Venue
Physical Review Letters
Published
2013-11-20
Volume
111
Issue
21
Pages
216805-216805
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
OpenAlex
W2056902973
Cited by
1,614
References
0
FWCI
50.03
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Optical Spectrum ofMoS2: Many-Body Effects and Diversity of Exciton States. https://app.cochat.ai/papers/10.1103/physrevlett.111.216805
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Qiu, D. Y., da Jornada, F. H., & Louie, S. G. (2013). Optical Spectrum ofMoS2: Many-Body Effects and Diversity of Exciton States. Physical Review Letters. https://doi.org/10.1103/physrevlett.111.216805

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