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
Metallic systems
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sdwang
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Daniele Varsano
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Re: Metallic systems
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/