[Wien] QUESTION regarding p-n junction DOS

[prasenjit roy]

Dear Prof. Blaha and WIEN2K users,

I have a question regarding physics. We tried to do a calculation for an
organic(p-type)-inorganic(n-type) interface for p-n junction photodiode.
First we did a calculation for organic part, then the inorganic part and
finally both together. All three of them were performed for the same
unitcell size.

But while plotting DOSfor the interface, the organic donor [p-type](as
reported in literature) DOS shifts to lower energy, making it n-type.

I do not know where is the problem. Some literature suggests that part of
the DOS (organic part) need to be shifted with respect to the vacuum level.
How to do that?

I will be highly obliged if you can kindly give me your suggestions
regarding this.

Thank you very much, with kind regards,
Prasenjit Roy
Electronic Structures of Materials
Radboud University
Nijmegen
+31 (0) 24 36 52805
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