Large Excitonic Effects in the Optical Properties of Monolayer MoS2

Details Large Excitonic Effects in the Optical Properties of Monolayer MoS2 Large Excitonic Effects in the Optical Properties of Monolayer MoS2

2011-07-04

arxiv.org/abs/1107.0600v1

Physics

Condensed Matter

Materials Science

4 pages, 4 figures

Scientific paper

The band structure and absorption spectrum of monolayer MoS2 is calculated using the G0W0 approximation and the Bethe-Salpeter equation (BSE), respectively. We find that the so-called A and B peaks in the absorption spectrum arise from strongly bound excitons (0.7-0.8 eV) localized in distinct regions of the Brillouin zone and not from a split valence band as commonly assumed. Furthermore, we find the minimum band gap to be of the indirect type. This seems to conflict with recent experimental results showing stong luminescence in this material. However, our results indicate that the luminescence is a consequence of the large binding energy of the lowest exciton which stabilizes it against thermal relaxation.

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