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 6
Calculated EELS and optical absorption α for (a), (b) MoS₂-2H, (c), (d) MoS₂-1L and (e), (f) MoS₂-2L (ɛ₂). 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. The green dashed boxes in panels (b), (d) and (f) show the part of the absorption spectrum in the visible region, which is reported in the upper right inset.

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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