Fermi energy not in midgap

ashish dabral ashishd... at gmail.com
Tue Aug 1 18:48:45 CEST 2017


Hi,

I have calculated PDOS for semiconducting systems. While plotting them I 
realized that for the semiconductor, 
the fermi energy is not lying in the midgap. No spin polarization is used. 
I just take the fermi energy and 
check if the mid of CB min. and VB maximum give me the fermi 
energy(mid-gap). There is a slight offset towards
conduction band. The system is definitely semiconducting.

Any pointers?

Thanks
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