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Optical Spectrum of MoS{}₂: Many-body Effects and Diversity of Exciton States
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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 binding energy close to $1$~eV and by strong electron-phonon broadening in the visible to ultra-violet range. Our results explain recent experimental measurements and resolve inconsistencies between previous GW-BSE calculations.
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Cited by 2 Pith papers
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Transition Metal Dichalcogenide Excitons in Periodic Electrostatic Potentials: Center-of-Mass Models
Periodic electrostatic potentials in TMDs induce up to 10 meV optical valley splitting and linear dispersion in the lowest exciton band, potentially enabling 2D exciton Bose condensation and superfluidity.
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Transition Metal Dichalcogenide Excitons in Periodic Electrostatic Potentials: Center-of-Mass Models
Periodic electrostatic potentials applied to TMD excitons induce up to 10 meV valley splitting and linear gamma-point dispersion that suppresses thermal excitations and may permit 2D Bose condensation.
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