[Wien] Calculating XPS spectra in Wien2k

Gerhard Fecher fecher at uni-mainz.de
Thu Sep 18 11:19:00 CEST 2008


Realy not a good idea,
 if you have C on the surface, what C is it ? CO, hydrocarbon, graphite ? All have a different binding energy of the C 1s !
I suggest, if youre sample is not to be supposed to contain C, you should clean it.

XPS energies have to be calibrated using the Au (or Ag) Fermi energy !!!!!

and the other question: And for an insulator when the extra 1/2 (or 1) electron goes into the
conduction band and E_F changes....?
An insulater will most probably charge if you do XPS, and the energies do not tell you much.

Ciao
Gerhard
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [L-marks at northwestern.edu]
Gesendet: Mittwoch, 17. September 2008 18:06
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Calculating XPS spectra in Wien2k

Good point, we do use the C 1s peak for calibration.

On Wed, Sep 17, 2008 at 8:56 AM, Pierre-Emmanuel Lippens
<lippens at univ-montp2.fr> wrote:
> At 14:20 17/09/2008, you wrote:
>>It should be EF. I think experimentally binding energies in XPS are
>>given with respect
>>to EF=0.
>
> Yes, but the experimental energy scale is often calibrated by
> considering the C 1s peak (fixed at about 285 eV). This peak is used
> because of the carbon contamination usually observed in XPS experiments.
>
> PE Lippens
>
>
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Laurence Marks
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email: L-marks at northwestern dot edu
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