Hybrid k·p tight-binding model for subbands and infrared intersubband optics in few-layer films of transition-metal dichalcogenides: MoS2, MoSe2, WS2, and WSe2

David A. Ruiz-Tijerina, Mark Danovich, Celal Yelgel, Viktor Zólyomi, and Vladimir I. Fal'ko
Phys. Rev. B 98, 035411 – Published 6 July 2018
PDFHTMLExport Citation

Abstract

We present a density functional theory parametrized hybrid k·p tight-binding model for electronic properties of atomically thin films of transition-metal dichalcogenides, 2HMX2(M=Mo,W;X=S, Se). We use this model to analyze intersubband transitions in p- and n-doped 2HMX2 films and predict the line shapes of the intersubband excitations, determined by the subband-dependent two-dimensional electron and hole masses, as well as excitation lifetimes due to emission and absorption of optical phonons. We find that the intersubband spectra of atomically thin films of the 2H-MX2 family with thicknesses of N=2 to 7 layers densely cover the infrared spectral range of wavelengths between 2 and 30μm. The detailed analysis presented in this paper shows that for thin n-doped films, the electronic dispersion and spin-valley degeneracy of the lowest-energy subbands oscillate between odd and even number of layers, which may also offer interesting opportunities for quantum Hall effect studies in these systems.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
10 More
  • Received 25 March 2018
  • Revised 9 June 2018

DOI:https://doi.org/10.1103/PhysRevB.98.035411

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

David A. Ruiz-Tijerina, Mark Danovich, Celal Yelgel, Viktor Zólyomi, and Vladimir I. Fal'ko

  • National Graphene Institute, University of Manchester, Booth St E, Manchester M13 9PL, United Kingdom

Article Text (Subscription Required)

Click to Expand

Supplemental Material (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 98, Iss. 3 — 15 July 2018

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×