Excitonic effects in the optical properties of 2D materials:an equation of motion approach

Abstract

Abstract. We present a unified description of the excitonic properties of four monolayer transition-metal dichalcogenides (TMDC's) using an equation of motion method for deriving the Bethe-Salpeter equation in momentum space. Our method is able to cope with both continuous and tight-binding Hamiltonians, and is less computational demanding than the traditional first-principles approach. We show that the role of the exchange energy is essential to obtain a good description of the binding energy of the excitons. The exchange energy at the Γ−point is also essential to obtain the correct position of the C-exciton peak. Using our model we obtain a good agreement between the Rydberg series measured for WS 2 . We discuss how the absorption and the Rydberg series depend on the doping. Choosing r 0 and the doping we obtain a good qualitative agreement between the experimental absorption and our calculations for MoS 2 and WS 2 . We also derive a semi-analytical version of Ellitot's formula for TMDC's.arXiv:1704.00975v1 [cond-mat.mes-hall]

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