[Wien] Calculating XPS spectra in Wien2k

[Gerhard Fecher]

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
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>



--
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/IUCR_CED
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien