How to Calculate Atomic percentage (at%) in XPS, how to indemnify the atomic doping carbon materials(ex : Carbon 80 at %, Oxygen 8.4 at %. Any procedure, which one is XPS peak fit software, Please any Researches and scientist help me ?
Thank You Muhammad Naveed Sir and Yiheng Qin Sir. Any Procedure to Manually Calculation atomic Percentage (at %) using XPS Graph. my materials low level doping, peaks appear but noise how to calculate at %. help me.
Use a peak fitting software such as CasaXPS to obtain the intensities of the XPS peaks you're interested in. Once you have these intensities for the elements you're looking to compare, you need to normalize them. First divide by the X-ray flux if you have used different X-ray energies for different spectra (more X-rays will give higher intensity XPS peaks). Then divide by the photoionization cross-section for the core level you're looking at it. This tells you the probability that a photoelectron will be emitted, and is different for each atomic core level at each photon energy. Only when you've normalized can you then take the ratio to get the elemental percentage.
E.g. the photoionization cross section for C 1s and O 1s at a particular photon energy could be different by a factor of 2 or more-- so it may appear that there is a lot more carbon, but it's only because the cross-section at that photon energy is much larger.
Cross sections are reported in Yeh and Lindau, Atomic Data and Nuclear Data Tables 32, 1-155 (1985).
I do not understand your point. What you want to do? Do you want to find the atomic % of any compound formed in your sample? If this is so then you have to do peak fit for that. For that you need high resolution peaks of each elements eg. if the sample is Si then Si 2p and others.
@When I perform the survey scan of InP, I got the In (3d, 3s, 3p, 4p and 4d) and P (2s and 2p peaks). Now I want to measure how much In and P is present in my sample. After analyzing survey scan of In peak, I have got individual at% fraction of 3d, 3s, 3p, 4p and 4d peaks. So to find total In atomic percentage in material, we have to add at% of all these peaks?. I want to know this is the right approach?
OR Since all In peaks (3d, 3s, 3p, 4p and 4d) represent the same element, I have to chose and further analyse only one peak contribution from In ( let's take In 3d) and one peak from P in survey scan to get the total In and P contribution?
No you only need to use one photoelectron peak for each element, because (as previously explained) you divide the peak area by the relative sensitivity factor which is adjusted for each core level. from each element So don't add all the peak areas, use one and divide by the appropriate sensitivity factor (calculations in CASAXPS etc. use a library of RSFs and do this automatically for you). Yeh and Lindau can be used as an approximation if you don't have a library of RSFs for your instrument (reference again listed earlier). Indeed you can never measure all the core levels only those with binding energies less than your X-ray photon energy,
Ben F. Spencer So if I am correct you are saying consider only one photoelectron peak out of all peaks for each element (divided by RSF factor) to get the atomic percentage.
using CASA needs to know the right RSF factor for each element. it is very confusing. CASA have zero RSF for some peaks which make its contribution to the At% zero. you need first to know the right RSF values then any program will be enough
This is a nice paper listing tables of RSFs for every element and core level, in case people require these (here for Al Ka or Ag La X-rays) for use in different programmes.
Article Intensity calibration and sensitivity factors for XPS instru...
Can anyone explain: Why is there a difference in atomic % estimated using different core levels despite incorporating different relative sensitivity factors for each level. I use CASA software. (example: 2p and 2s peaks showing different atomic percentage)
Hi Anusmita, a few effects could influence the atomic % changing if you change the peak used.
1) The transmission of the analyser (a function of electron kinetic energy) may not be properly calibrated, T(E) tends to go as KE^(-0.7) but can vary depending on instrument geometry. There are methods to check this calibration using standard materials, e.g. recently Reed et al, J. Vac. Sci. Technol. A 38, 063208 (2020); https://doi.org/10.1116/6.0000577. If T(E) isn't properly accounted for, you cannot effectively subtract the background which will influence the peak intensity.
2) The sample may not be homogeneous. At a different binding energy, the kinetic energy is different, and the photoelectrons are therefore associated with a different sampling depth (defined as 3 times the inelastic mean free path, how far an electron can travel before scattering with loss of energy). Even though core level sensitivity factors include the effect of changes to the IMFP with KE, this only works if the sample is homogeneous (over lengthscales >> the sampling depth). So, one core level at a higher binding energy is at lower kinetic energy, and is therefore more surface sensitive. This will be most noticeable for core levels with larger differences in BE/KE (e.g. Zn 2p at 1020 eV BE, compared to 3d at 10 eV).
3) Different core levels have different sensitivity factors, and for core levels with smaller RSFs, the signal is weaker, so extracting the peak intensity to calculate the atomic concentration will have a larger associated error.
Ben F. Spencer Hello, sir i want to do my xps analysis for that i need sensitive factor and binding energy data base for element. Can you please share pdf of the same.