Molybdenum Disulfide MoS2 and the q-BWF line shapes (Raman Spectroscopy)

17 May 2024, Version 3
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

RRUFF database is proposing the Raman spectra of two molybdenum disulfide MoS_2 samples. Here we show the q-BWF fitted functions to the E_2g and A_1g Raman bands of these samples. The q-BWF functions are generalizing the Breit-Wigner-Fano line shape in the framework of the q-exponential function proposed by Constantino Tsallis and his statistics. The fitted q-BWF functions to pyramid and monolayer Raman spectra by Fabbri et al., 2022, are also proposed. Some review of Raman spectroscopy of MoS_2 is proposed too, especially about Fano-Raman and Davydov splitting effect.

Keywords

Spectrum decomposition
q-Gaussian Tsallis lines
Breit-Wigner-Fano line shape
q-BWF line shape
Fano-Raman
Davydov splitting
Raman spectroscopy
Molybdenum Disulfide
Fano resonance

Supplementary materials

Title
Description
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Title
Decomposition of Raman Spectra of Molybdenum Disulfide MoS2 Molybdenite, Molybdenum Trioxide MoO3 Molybdite, and Tungsten Disulfide WS2 Tungstenite by means of q-BWF line shapes
Description
Here we propose some decompositions of Raman spectra provided by RRUFF database of natural Molybdenite, Molybdite and Tungstenite samples. The decompositions are made by means of q-BWF line shapes and proposed as screenshots of Fityk fitting. We use only q-BWF line shapes, as an efficient manner for the decomposition of spectra, however spectra could be improved by adding further q-Gaussian components.
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