i have a Raman spectrum of pristine Nb2O5. The spectrum was fitted with lorentz function and matched with lot of unknown peaks. it would be great someone can explained spectrum. The corresponding peaks are mentioned in the spectrum.
First try to match the most intense peaks from literature. Extra low intensity de-convoluted peaks may be neglected in some cases, as reflection/scattering and background fluorescence may give rise to those.
For a comprehensive group theoretical analysis, you may take help of the Vibrate software. By simply importing the CIF of the material, you can have the complete analysis within seconds. However, this analysis will not give you the exact positions of the peaks. You will just get to know the possible Raman modes and their origin.
To know, an exact theoretical spectrum, DFT-based phonon dispersion and band-structure studies are recommended. Such calculations can generate the Raman or infrared spectrum for a given compound.
Dear Shasika Panamaldeniya
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