[Pw_forum] Electronic thermal conductivity

[Nicola Marzari]

Dear Tapas,

indeed - one generally calculates the electronic electrical 
conductivity, and then just used the Wiedemann-Franz law to estimate the
electronic thermal conductivity.

For the electrical conductivity, I'd be fairly impressed by Huang
if he had managed to do that from el-ph calculations - the dependence on
k,k+q seems to require very careful integrations to estimate lifetimes ?

			nicola



lfhuang wrote:
> Dear Tapas Kar:
> In my opinion, you may need some analytical derivation after DFT 
> calculations. I have calculated the semiclassical transport properties 
> of the electrons in graphene. First, I calculated the band structure and 
> electron-phonon interactions by PWSCF, and then I derived the transport 
> properties using Boltzmann equation. Because the band structure of 
> graphene is not complicated, it is not hard for me to understand the 
> physics and calculate the transport properties. May these can be helpful 
> to you. In addition, please put your own affiliation at the bottom of 
> you email, because that is a netiquette.
> Best Wishes!
> L. F. Huang
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Prof Nicola Marzari   Department of Materials Science and Engineering
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