[Pw_forum] Core level binding energy shift by pw.x

[Xianzhong Zhou]

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