Excitonic structure of the optical conductivity in MoS${}_2$ monolayers

Abstract

We investigate the excitonic spectrum of MoS${}_2$ monolayers and calculate its optical absorption properties over a wide range of energies. Our approach takes into account the anomalous screening in two dimensions and the presence of a substrate, both cast by a suitable effective Keldysh potential. We solve the Bethe-Salpeter equation using as a basis a Slater-Koster tight-binding model parameterized to fit ab initio MoS${}_2$ band structure calculations. The resulting optical conductivity is in good quantitative agreement with existing measurements up to ultraviolet energies. We establish that the electronic contributions to the C excitons arise not from states in the vicinity of the $\Gamma$ point, but from a set of $k$-points over extended portions of the Brillouin zone. Our results reinforce the advantages of approaches based on effective models to expeditiously explore the properties and tunability of excitons in TMD systems.

arXiv commentPublished version, 16 pages, 10 figures

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• Distinctive signatures of the spin- and momentum-forbidden dark exciton states in the photo-luminescences of strained WSe${}_2$ monolayers under thermalization
• Exciton-Phonon Coupling and Band-Gap Renormalization in Monolayer WSe${}_2$
• Gauge invariance of excitonic linear and nonlinear optical response
• Excitonic Condensate in Flat Valence and Conduction Bands of Opposite Chirality
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• Delocalization of dark and bright excitons in flat-band materials and the optical properties of V${}_2$O${}_5$
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• Combined tensor network/cluster expansion method using logic gates: Illustrated for (bi-)excitons by a single layer MoS${}_2$ model system
• Computational methods for 2D materials modelling
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• Tensor network strategies for calculating biexcitons and trions in monolayer 2D materials beyond the ground state
• Strong coupling of quantum emitters and the exciton polariton in MoS${}_2$ nanodisks
• Coulomb effects in the absorbance spectra of two-dimensional Dirac materials
• Searching for Unconventional Superfluid in Excitons of Monolayer Semiconductors
• Long-living excited states of a 2D diamagnetic exciton