Dear all, I want to calculate the core level binding erergy of a mixed halide perovskite materials. In my XPS measurement, I find there is chemical shift of Pb4f7 XPS peak binding energy. I find in the PP example that, there is a way to use the hole pseudopotential to calculate the surface core level shift. Could I also use this way to calculate the binding energy shift which is due to the substitution of one element by another element in perovskite material?
I am looking forward to someone answer my question. Thank you very much! Xianzhong Zhou Department of Physics, Sun Yat-sem University, China _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
