Optical spectrum of MoS2: many-body effects and diversity of exciton states.

By D. Qiu, Felipe H. da Jornada, Steven G. Louie. Physical Review Letters, 2013

1,208 citations recorded by the source corpus.

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.

Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/eaf8e57e2f0ba56e12e33211fe744c6e10ddbc68

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Electronic, Optical and Magnetic Materials

1. Vincent Meunier
2. Di Xiao
3. Mauricio Terrones
4. Bobby G. Sumpter
5. E. Ringe
6. M. Chhowalla
7. M. Potemski

In Materials Chemistry

1. W. Yao
2. Hongyi Yu
3. Xiaodong Xu
4. Mark C. Hersam
5. Di Xiao
6. X. Cui
7. Mauricio Terrones
8. Steven G. Louie

Citations in the corpus

• Recent Advances in Two-Dimensional Materials beyond Graphene. (2015, background): “the Wannier type with wave functions that are very extended in real-space, but localized in k-space.(85)”
• Recent Advancement on the Optical Properties of Two-Dimensional Molybdenum Disulfide (MoS2) Thin Films (2015, neutral): “8 eV [37,66,68–72].”
• Optical properties of atomically thin transition metal dichalcogenides: observations and puzzles (2016, background): “Such models are, however, largely not analytical and so far mostly applied to a single system of MoS2 monolayer [42, 43, 48].”