Structural, elastic, electronic, optical and vibrational properties of single-layered, bilayered and bulk molybdenite MoS2-2H

Ulian, G.; Valdrè, G.

doi:10.1107/S1600576723002571

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 5
Imaginary (ɛ₂) and real (ɛ₁) components of the complex dielectric function, as obtained from the theoretical simulations at the PBE-D3 level for (a), (b) MoS₂-2H, (c), (d) MoS₂-1L and (e), (f) MoS₂-2L. Red and blue lines refer to the on-plane (xx, E $[\bot]$ c) and out-of-plane (xx, E || c) electric field oscillations, respectively. Experimental data from Beal & Hughes (1979

) are shown for direct comparison.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 56| Part 3| June 2023| Pages 611-623

https://doi.org/10.1107/S1600576723002571

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