Barium Titanate BaTiO3 Raman Spectra and their deconvolution with q-BWF functions
Preprint
- 1 August 2024
- preprint
- Published by American Chemical Society (ACS) in ChemRxiv
Abstract
Here we study the Raman spectra of Barium Titanate, BaTiO3, given in the RRUFF and ROD databases. Being the Raman bands strongly asymmetric, we are deconvoluting them by means of the q-BWF functions. These functions are generalizing the Breit-Wigner-Fano line shape in the framework of the q-exponential function of Tsallis statistics. Besides the deconvolution of Raman spectra, we consider the literature on BaTiO3 Raman spectroscopy, particularly the assignment of the bands. Being the wavenumbers of some A1 and E modes very close, the observed modes are mixed. Moreover, dips in the spectra have suggested as due to the presence of anharmonicity, interference and Fano resonance.Keywords
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