Ab initio study of electronic excitations and the dielectric function in molybdenum disulfide monolayer

Vito Despoja, Zoran Rukelj, and Leonardo Marušić
Phys. Rev. B 94, 165446 – Published 26 October 2016

Abstract

The propagator of the induced dynamically screened Coulomb interaction Wind(Q,ω,z,z) is calculated for the MoS2 monolayer. The energy-loss rate of a point charge placed near the MoS2 monolayer is calculated (using the spatial resolution of the Wind in the direction perpendicular to the MoS2 plane) and successfully compared with very recent electron-energy-loss spectroscopy measurements of Hong et al. [J. Hong et al., Phys. Rev. B 93, 075440 (2016)]. The induced propagator Wind, compared with its classical analogous propagator, is used to determine the effective dielectric function εeff(ω) of atomically thick crystals. It is shown that εeff(ω) extracted from Wind is in good agreement with the dielectric function of the MoS2 extracted from the ellipsometry measurements. A recently proposed method for calculation of the dielectric tensor in quasi-two-dimensional crystals is used to calculate the parallel ε(ω) and perpendicular ε(ω) dielectric functions in MoS2, which are compared with some previous measurements and calculations.

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  • Received 25 August 2016

DOI:https://doi.org/10.1103/PhysRevB.94.165446

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Vito Despoja1,*, Zoran Rukelj1, and Leonardo Marušić2

  • 1Department of Physics, University of Zagreb, Bijenička 32, HR-10000 Zagreb, Croatia
  • 2Maritime Department, University of Zadar, M. Pavlinovića 1, HR-23000 Zadar, Croatia

  • *vito@phy.hr

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Vol. 94, Iss. 16 — 15 October 2016

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