English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We present converged ab-initio calculations of the optical absorption spectraof single-layer, bi-layer, and bulk MoS$_2$. Both the quasiparticle-energycalculations (on the level of the GW approximation) and the calculation of theabsorption spectra (on the level of the Bethe-Salpeter equation) explicitlyinclude spin-orbit coupling, using the full spinorial Kohn-Sham wave-functionsas input. Without excitonic effects, the absorption spectra would have the formof a step-function, corresponding to the joint-density of states of a parabolicband-dispersion in 2D. This profile is deformed by a pronounced bound excitonicpeak below the continuum onset. The peak is split by spin-orbit interaction inthe case of single-layer and (mostly) by inter-layer interaction in the case ofdouble-layer and bulk MoS$_2$. The resulting absorption spectra are thus verysimilar in the three cases but the interpretation of the spectra is different.Differences in the spectra can be seen around 3 eV where the spectra of singleand double-layer are dominated by a strongly bound exciton.

Effect of spin-orbit interaction on the excitonic effects in single-layer, double-layer, and bulk MoS2