[Wien] Question about Valence Band XPS

[Peter Blaha]

The spectra are first convoluted with a Gaussian and then with a Lorentzian.

Regards

Am 12.04.2025 um 21:17 schrieb Francisco Garcia:
> Dear Users,
> 
> Quite recently Bagheri and Blaha have shown that the valence band XPS 
> can be obtained by weighting the partial DOS with energy-dependent 
> photoionization cross-sections, followed by the application of Gaussian 
> broadening instrumentation effects and Lorentzian broadening for 
> lifetime effects.
> 
> My question is a technical one: after applying the photoionization 
> cross-sections to the partial DOS, is the result convoluted with a 
> Gaussian, followed by a Lorentzian convolution or the result is 
> convoluted once with the product of the Gaussian and Lorentzian?
> 
> Thanks
> 
> FG
> 
> 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
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