Influence of the effective layer thickness on the ground-state and excitonic properties of transition-metal dichalcogenide systems

L. Meckbach, T. Stroucken, Stephan W Koch

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

A self-consistent scheme for the calculations of the interacting ground state and the near band-gap optical spectra of mono- and multilayer transition-metal-dichalcogenide systems is presented. The approach combines a dielectric model for the Coulomb interaction potential in a multilayer environment, gap equations for the renormalized ground state, and the Dirac-Wannier equation to determine the excitonic properties. To account for the extension of the individual monolayers perpendicular to their basic plane, an effective thickness parameter in the Coulomb interaction potential is introduced. Numerical evaluations show that the resulting finite thickness effects lead to significant modifications in the optical spectra, reproducing the experimentally observed nonhydrogenic features of the excitonic resonance series. Applying the theory for a variety of experimentally relevant configurations, a consistent description of the near band-gap optical properties is obtained all the way from monolayer to bulk. In addition to the well-known in-plane excitons, also interlayer excitons occur in multilayer systems suggesting a reinterpretation of experimental results obtained for bulk material.

Original languageEnglish (US)
Article number035425
JournalPhysical Review B
Volume97
Issue number3
DOIs
StatePublished - Jan 18 2018
Externally publishedYes

Fingerprint

Ground state
Transition metals
Monolayers
Multilayers
transition metals
Coulomb interactions
Excitons
ground state
optical spectrum
excitons
Optical band gaps
Dirac equation
interlayers
Energy gap
Optical properties
interactions
optical properties
evaluation
configurations
LDS 751

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Influence of the effective layer thickness on the ground-state and excitonic properties of transition-metal dichalcogenide systems. / Meckbach, L.; Stroucken, T.; Koch, Stephan W.

In: Physical Review B, Vol. 97, No. 3, 035425, 18.01.2018.

Research output: Contribution to journalArticle

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