Exploration of the bright and dark exciton landscape and fine structure of MoS${}_2$ (using G${}_0$W${}_0$-BSE)

Abstract

Spectral ordering between dark and bright excitons in transition metal dichalcogenides is of increasing interest for optoelectronic applications. However, little is known about dark exciton energies and their binding energies. We report the exciton landscape including momentum-forbidden dark excitons of MoS${}_2$ monolayer using single shot GW-Bethe Salpeter equation (G${}_0$W${}_0$-BSE) calculations. We find the lowest-energy exciton to be indirect at (${\text{K}}_v^{\prime }\to {\text{K}}_c$) in agreement with recent GdW-BSE calculations [2D Mater. 6, 035003 (2019)]. We also find that by large, dark exciton binding energies ($E_b$) scale with the quasiparticle energies ($E_g$) according to the $E_b/E_g=0.25$ rule. Differences in exciton binding energies are explained using an orbital theory.

arXiv comment19 pages, 7 figs

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Cited by in corpus (6)

• Brightening of spin- and momentum-dark excitons in transition metal dichalcogenides
• Band nesting and exciton spectrum in monolayer MoS${}_2$
• Analytical description of the 1s exciton linewidth temperature-dependence in transition metal dichalcogenides
• Probing Dark Excitons in Monolayer MoS${}_2$ by NonLinear Two-Photon Spectroscopy
• Theory of the Coherent Response of Magneto-Excitons and Magneto-Biexcitons in Monolayer Transition Metal Dichalcogenides
• Efficiency of band edge optical transitions of 2D monolayer materials: A high-throughput computational study