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Metallic systems

Posted: Fri Oct 14, 2022 2:14 am
by sdwang
Dear all,
I am dealing with a 2D heterostructure which is a semimetal (but with a tiny gap under HSE). I am wondering when we deal with this system, the GW with plasmon-pole approximation is OK, or do we have to resort to the Drude model?

Thanks!

Shudong

Re: Metallic systems

Posted: Fri Oct 14, 2022 3:13 pm
by Daniele Varsano
Dear Shudong,
I do not have a clear answer for this.
My opinion is that as the metallic character is an effect of the local/semilocal DFT you are using, you do not want to include the Drude term in the screening, so I would go
for a standard PP calculations, hoping you recover the right tiny gap.

Best,
Daniele