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.
Barium Titanate BaTiO3 Raman Spectra and their deconvolution with q-BWF functions / Sparavigna, Amelia Carolina. - ELETTRONICO. - (2024). [10.26434/chemrxiv-2024-dchgr]
Barium Titanate BaTiO3 Raman Spectra and their deconvolution with q-BWF functions
Sparavigna, Amelia Carolina
2024
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.File | Dimensione | Formato | |
---|---|---|---|
barium-titanate-ba-ti-o3-raman-spectra-and-their-deconvolution-with-q-bwf-functions.pdf
accesso aperto
Tipologia:
1. Preprint / submitted version [pre- review]
Licenza:
Creative commons
Dimensione
1.34 MB
Formato
Adobe PDF
|
1.34 MB | Adobe PDF | Visualizza/Apri |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
https://hdl.handle.net/11583/2991682