Abstract
We present first-principles calculations of the optical response of monolayer molybdenum disulfide employing the -Bethe-Salpeter equation (-BSE) approach including self-energy, excitonic, and electron-phonon effects. We show that monolayer possesses a large and diverse number of strongly bound excitonic states with novel -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 -BSE calculations.
- Received 5 July 2013
DOI:https://doi.org/10.1103/PhysRevLett.111.216805
© 2013 American Physical Society