Kindly suggest which function to choose from (e.g., Gaussian, Lorentzian or others) and why, while peak fitting/performing deconvolution for XRD, Raman, XPS data analysis in Origin plot.
Considering XRD (single-peak) I recommend to use Voigt or Pseudo Voigt functions that is a combination of Lorentz and Gauss functions. You can find many papers explaining the details of the methods, for example :
For XPS its better use voigt or pseudo voigt functions due to the lorentzian energy distribution of measured electrons and the gaussian distribution induced by instrumental factors, for more accurate interpretation of data.
J. Vac. Sci. Technol. A 38, 061203 (2020); doi: 10.1116/6.0000377