Applying Lorentzian Broadening in Electron Energy Loss Spectroscopy

[castep_nut]

I am predominantly a chemist researching electron energy loss spectroscopy, though have recently expressed some interest in spectral modelling. An area that perplexes me somewhat is applying broadening to a spectrum . For example, if I calculate a spectrum such that:

Energy Intensity
0 x
1 y
2
3 ...
4 ...


How can I apply for example a Lorentzian broadening factor to this? Any help would be most welcome.

CN

 

[ZapperZ]

I am predominantly a chemist researching electron energy loss spectroscopy, though have recently expressed some interest in spectral modelling. An area that perplexes me somewhat is applying broadening to a spectrum . For example, if I calculate a spectrum such that:

Energy Intensity
0 x
1 y
2
3 ...
4 ...


How can I apply for example a Lorentzian broadening factor to this? Any help would be most welcome.

CN

You do a convolution of the actual spectrum (i.e. the data) with the broadening spectrum (your Lorentzian).

Zz.

 

[charng]

As a fellow scientist, I can understand your confusion about applying Lorentzian broadening in electron energy loss spectroscopy. Broadening is a common phenomenon in spectroscopy, where the spectral lines are not sharp but rather have a certain width due to various factors such as instrument resolution, molecular motion, and energy exchange processes.

In electron energy loss spectroscopy, broadening can occur due to the energy spread of the incident electrons, the energy loss distribution of the sample, and the instrumental resolution. Lorentzian broadening is a common method used to account for this broadening effect in EELS spectra.

To apply Lorentzian broadening to your calculated spectrum, you can convolve the spectrum with a Lorentzian function. This involves multiplying the intensity values of your spectrum with the Lorentzian function at each energy point. The Lorentzian function is defined as follows:

L(x) = (1/π) × (γ/2)/[x^2 + (γ/2)^2]

where x is the energy and γ is the broadening factor.

By convolving your spectrum with the Lorentzian function, you will effectively broaden the spectral lines by a factor of γ. This will account for the broadening effects and give you a more realistic representation of the spectrum.

I hope this explanation helps to clarify the process of applying Lorentzian broadening in electron energy loss spectroscopy. If you have any further questions, please do not hesitate to reach out for more assistance. Good luck with your research!