Author Topic: intraband calculations in metals  (Read 136 times)

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Offline debjani

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intraband calculations in metals
« on: July 18, 2019, 08:35 »
Is there any way to incorporate the intraband Drude-like term in optical spectrum computation?  ATK does it via Kubo-Greenwood formula, where there should be one (-1/w^2) divergence at zero energy for real part of epsilon. I have tested it for all sorts of broadenings for simple metals like Au or Ag. However, the zero energy negative divergence is not produced. Can anybody help?

Offline Anders Blom

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Re: intraband calculations in metals
« Reply #1 on: July 26, 2019, 13:56 »
As far as I can tell this is not included in QuantumATK, but it's a very nice idea that we will look into adding in the future.