# An amphoteric dopant like Erbium (Er) may occupy any site of an ABO3 type perovskite structure (Like Barium Titanate).
# It was aimed to dope at A-site but for higher dopings it goes to B-site as well. It has been reported in many papers.
# Is There any way to figure out its occupancy experimentally?
# Indirect studies like shift in Tc (Curie Temperature) has been done.
# Can any other study like Raman, DC Conductivity, EPR or refinement can help?
# Please guide
Dear S. Kumar,
By using Raman spectroscopy, it is not possible to find the site occupancy. However, I think you can do some first principles calculations. Try to calculate the formation energy after doping to A-site and check the the thermodynamic stability. After certain level of doping you might be seen the thermodynamic instability. At that point of doping, the dopant can go to the B-site.
upd: I tried to search for such works, and found almost immediately: http://doi.org/10.1039/B402859G
Thanks all for your support. Direct method is a bit difficult to perform but I am trying refinement 10 to 80 degree scan 0.02 step size. is it fine for occupancy refinement.
Rest I am trying to Co-relate it with change in conductivity and shift in curie temperature.
Dear Prof., may I ask, how to get a high resolution scan to be use in Rietveld refinement of XRD data?
In my Paper, I proved this using EPR data. For reference, see my article - Modulating the effect of Yttrium doping ....
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