Light-Matter Interactions in Two-Dimensional Transition Metal Dichalcogenides: Dominant Excitonic Transitions in Mono- and Few-Layer MoX2 and Band Nesting

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Details zur Publikation

Autorinnen und Autoren: Gillen R, Maultzsch J
Zeitschrift: IEEE Journal of Selected Topics in Quantum Electronics
Jahr der Veröffentlichung: 2017
Band: 23
Heftnummer: 1
ISSN: 1077-260X


Abstract


We report ab initio calculations of the dielectric function of six mono and bilayer molybdenum dichalcogenides based in a Bethe Salpeter equation+G(0)W(0) (BSE@G(0)W(0)) ansatz, focussing on the excitonic transitions dominating the absorption spectrum up to an excitation energy of 3.2 eV. Our calculations suggest that switching chalcogen atoms and the strength of interlayer interactions should affect the detailed composition of the high "C" peaks in an experimental optical spectra of molybdenum dichalcogenides and cause a significant spin-orbit-splitting of the contributing excitonic transitions in monolayerMoSe(2) and MoTe2. This can be explained through changes in the electronic dispersion around the Fermi energy along the chalcogen series S -> Se -> Te that move the van-Hove singularities in the density of states of the two-dimensional materials along the G-K line in the Brillouin zone. Further, we confirm the distinct interlayer character of the "C" peak transition in few-layer MoS2 that was predicted before from experimental data and show that a similar behavior can be expected for MoSe2 and MoTe2 as well.


FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Gillen, Roland
Lehrstuhl für Experimentalphysik
Maultzsch, Janina Prof. Dr.
Lehrstuhl für Experimentalphysik


Forschungsbereiche

Layered materials
Lehrstuhl für Experimentalphysik


Zitierweisen

APA:
Gillen, R., & Maultzsch, J. (2017). Light-Matter Interactions in Two-Dimensional Transition Metal Dichalcogenides: Dominant Excitonic Transitions in Mono- and Few-Layer MoX2 and Band Nesting. IEEE Journal of Selected Topics in Quantum Electronics, 23(1). https://dx.doi.org/10.1109/JSTQE.2016.2604359

MLA:
Gillen, Roland, and Janina Maultzsch. "Light-Matter Interactions in Two-Dimensional Transition Metal Dichalcogenides: Dominant Excitonic Transitions in Mono- and Few-Layer MoX2 and Band Nesting." IEEE Journal of Selected Topics in Quantum Electronics 23.1 (2017).

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