When analysing the spectrum of CZTS (Cu2ZnSnS4) quarternary semiconducting compound, there are visibly larger shifts found in the binding energies of copper and sulphur. Copper peak has been seen at 973 instead of 933 and sulphur peaks observed at 167 instead of 161 eV. rest of the 2 elements are in their exact BE positions. Why this kind of shift happens? I have checked with other BE distributions in that position and found no elements with the same BE. Is there any reason behind this shift? or is it a measurement error?
Please mention any software or libraries which can interpret the XPS data.
Interesting subject, I want to study the physical properties (electronic ,optic and elastic properties of CZTS quaternary semiconductor compound by DFT approach for photovoltaic applications(Solar cells).
Is there only a peak at 973 eV or are there two peaks? In this work here:
https://ieeexplore.ieee.org/stamp/stamp.jsp?arnumber=6924934
CZTS has two peaks in that region so you wouldn't be wrong (don't be confused, the S2p assignment in that paper is wrong).
Regarding the S2p value: there are plenty of reports on binding energies in the region you specified:
https://srdata.nist.gov/xps/EngElmSrchQuery.aspx?EType=PE&CSOpt=Retri_ex_dat&Elm=S
So the only strange thing might be the copper.
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