Atom% & Shake-up

 

 

To produce Correct Atom%:

 

Should we extend the Background to Include or Exclude Shake-up Structures ?

 

Raw Survey Spectrum from CuO that has a Shake-up Structure with the Cu (2p) signals

 

 

The Cu (2p3) signal was integrated with a Linear Background in this image.

 

The Cu (2p3) signal was also integrated with a Shirley Background in this image. You see both a Linear Background and a Shirley Background.

We are testing if the shape of the background has a significant effect on the atom% quantitation results.

 

 

The O (1s) signal was also integrated with a Shirley Background in this image. You see both a Linear Background and a Shirley Background. We want to know the effect of the shape of the background used to generate atom% results from Survey spectra.

 

 

We are testing if the shape of the background has a significant effect on the atom% quantitation results. Here you can see that there difference in atom% is not significantly different if you use a Linear or a Shirley type background on Survey Spectra results.  These results depend on the Transmission Function being correct, the IMFP values being correct, and the SF being correct.

For pure CuO we expect roughly 50 atom% Cu and 50 atom% O.   When shake-up is included the atom% values are:  ~41 atom% for Cu and 58 atom% for O.

 

 

 

We are testing if the Shake-up structure should or should not be included in the atom% calculation.

The idea is:
If the peak area from Shake-up structure does NOT have a significant effect on the the atom% result, then atom% obtained from the survey that includes the Shake-up structure should be similar.  If the shake-up is important, then there will be an obvious significant effect on atom% results.

For pure CuO we expect roughly 50 atom% Cu and 50 atom% O.   When shake-up is excluded the atom% values are:  ~30 atom% for Cu and 70 atom% for O.  This is a large difference.

 

Conclusion:  Shake-up and Multiplet Splitting structures should be included when calculating atom% results.

 

 

Conclusion:  Shake-up and Multiplet Splitting structures should be included when calculating atom% results.

Including Shake-up:  Cu:O is ~41:59 atom%

Excluding Shake-up:  Cu:O is ~30:70 atom%