I use VASP code calculated the work function, then use a script to analysis the dates. Finally, I get the the work function graphic as follows. But, I don't know why there appear two steps of the parallel. And Is this right? Which steps should I use to subtract the Energy of Fermi level in order to get the work function?
You would seem to have two different surfaces, so possibly different workfunctions are expected, and hence there may be a potential slope in vacuum due to the imposed periodicity along z. actually there seems to be a potential slope inside too (which is expected if you are treating a thin insulator). why you get a step, I don't know. maybe you could provide more data about the problem.
Hello Vincenzo Fiorentini
Firstly, I thank you very much for your help. I will add some information in order to facilitate your analysis problems as follows.
- Badges
- Science topic
- Similar topics
- Physical Sciences
- Materials Science
- Materials
- Semiconductor