transport properties of Pb

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jin.zhang
Posts: 10
Joined: Thu Feb 23, 2017 1:44 am
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transport properties of Pb

Post by jin.zhang »

Dear EPW developers/users:
I am trying to reproduce the data in the tutorials (FCC Pb).
I have some puzzles.

*What is the difference between the Eliashberg function in Figure 3 and isotropic spectrol fuction in figure 4 .
*When i am trying to calculate the resistivity (figure 5), how to generate the file ?pb.a2f_400kSobol_02_tr.04), i guess it is renamed of the original pb.a2f_tr.01 file.
*The temperature dependence of resistivity is shown in Figure 5 and how does the temperature effect take in account in the EPW calculation. The parameter eptemp in epw.in (t04) or just the parameter in Ziman formula?

Than you for your any replies or suggestions.
sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: transport properties of Pb

Post by sponce »

Dear jin.zhang,

1) The plain line is the same. In Fig 4 you have the dashed line in addition, which is the Eliashberg transport spectral function (please refer to the EPW paper for the expression).

2) Yes, you are correct. It is just a rename.

3) Only from the param in the Ziman formula.

Best,

Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
jin.zhang
Posts: 10
Joined: Thu Feb 23, 2017 1:44 am
Affiliation:

Re: transport properties of Pb

Post by jin.zhang »

Dear Samuel,
Thank you for your kindly reply.
Jin
jin.zhang
Posts: 10
Joined: Thu Feb 23, 2017 1:44 am
Affiliation:

Re: transport properties of Pb

Post by jin.zhang »

Dear Samuel,
Another question, how does EPW treat the anisotropy of resistivity in real materials?
Best?
Jin
sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: transport properties of Pb

Post by sponce »

Hello,

The Ziman resistivity formula presented in Eq. 54 of the EPW paper is isotropic. Isotropic in the sense that you only have 1 value of resistivity per temperature but anysotropic in the sense that \lambda is q-resolved.

Extension to that formula can be made but are not currently available in EPW.

Best,

Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
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