how to set "the mettallic contact is taken as an electron gas with fixed chemi"

[njuxyh]

Dear All:

i saw a reference <<Effect ofhalide-mixingontheelectronictransportproperties of organometallicperovskites>>;  in that paper, there is a word "the mettallic contact is taken as an electron gas with fixed chemical potential" so i  am wondering how to set the metallic contact with some chemical potential, because the transmission spetrum is done by ATK in that paper.
is there anyone can help me?

[Jess Wellendorff]

I think this simply means that they use the standard ATK device configuration for NEGF calculations: Bulk electrodes at the (fixed) chemical potential determined by DFT (a reservoir of electrons) and the central scattering region in between.   

[njuxyh]

I think this simply means that they use the standard ATK device configuration for NEGF calculations: Bulk electrodes at the (fixed) chemical potential determined by DFT (a reservoir of electrons) and the central scattering region in between.

thank you, according to your reply, the  semiconductor itself  is used as electrode as well as the scattering region?
because the device figure tells me the scattering region is the same with the electrode.

is there any meaning if we use the semicondutor itself as the electrode?

[zh]

"the  semiconductor itself  is used as electrode as well as the scattering region? "
Yes.

In principle, you can do that.   But there are no free carriers in the pure semiconductor, so it is not recommended to use the pure semiconductor as the electrode and scattering region together.