Interlayer excitons in van-der-Waals heterostructures from ab initio perspective - the case of MoS2 on GaSe

Wagner, Christian; Rahaman, M.; Zahn, D. R. T.; Gemming, Sibylle

Interlayer excitons in van-der-Waals heterostructures from ab initio perspective - the case of MoS2 on GaSe

Wagner, C.; Rahaman, M.; Zahn, D. R. T.; Gemming, S.

Abstract

The talk investigates the formation of interlayer excitons as a function of heterostack composition for MoS2 and GaSe.
The composition of the stack has a large influence of the exciton binding energy.
As experimentally fabricated stacks are large, theoretical data need to be extrapolated slightly.
This finally results in a theoretical prediction closer to experimental observations of the interlayer excitons.

Keywords: 2D materials; DFT; Bethe-Salpeter; Density-functional perturbation theory; MoS2; GaSe; bilayer; van-der-Waals heterostructure; interlayer exciton; heterostack

Eingeladener Vortrag (Konferenzbeitrag)
Holzhau-2019 meeting, 25.-27.09.2019, Holzhau, Tschechei

Permalink: https://www.hzdr.de/publications/Publ-30303