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Excitonic effects in the optical properties of 2D materials: An equation of motion approach | | A. J. Chaves
; R. M. Ribeiro
; T. Frederico
; N. M. R. Peres
; | | Date: |
4 Apr 2017 | | 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
$Gamma-$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 WS$_2$. We also derive a semi-analytical version of Ellitot’s formula for
TMDC’s. | | Source: | arXiv, 1704.0975 | | Services: | Forum | Review | PDF | Favorites | |
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