[Wien] Fw: Is there any relationship between DOS(E_F) and conductivity?

[saeid pourmasoud]

Hello Dr. Validimir Timoshevskiiand Dr. Gerhard H. Fecher
I do really thank you for your nice answers.

best regards,
Saeid


----- Forwarded Message -----
From: Vladimir Timochevski <vladimir at physics.mcgill.ca>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Thursday, June 28, 2012 7:34 PM
Subject: Re: [Wien] Is there any relationship between DOS(E_F) and conductivity?
 
Hello S. Pourmasoud,

To calculate conductivity (in a "bandstructure" approach), you also need to know how many electronic states have non-zero momentum in your transport direction (in simple words ...). In other words, you need to calculate the Fermi surface projection on the plane, normal to your transport direction. Therefore, as Gerhard noticed, conductance also depends on details of electronic structure - Fermi surface topology. You can check this ref on how to use this approach to calculate transport properties:
Phys. Rev. B 57, 8907 (1998).

Vladimir.

===========================================
Dr. Vladimir Timoshevskii (Timochevski)
Department of Physics, McGill University,
3600 rue University, Montreal, QC
Canada H3A 2T8
Tel: +1 (514) 396-8935
Fax: +1 (514) 398-8434
===========================================




On 06/28/12 05:04, Fecher, Gerhard wrote:
> Fast answer:
>
 compare Fe and Cu and you have it.
> 
> The conductivity depends not only on the DOS at Ef but also on the setails of the bandstructure.
> There is no way to compare whether Sodium, Copper, or Gold are more metallic or not.
> 
> Ciao
> Gerhard
> 
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Inorganic and Analytical Chemistry
> Johannes Gutenberg - University
> 55099 Mainz
> ________________________________________
> Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]&quot; im Auftrag von&quot;saeid pourmasoud [sa_pourmasoud2007 at yahoo.com]
> Gesendet: Donnerstag, 28. Juni 2012 06:45
> An: wien at zeus.theochem.tuwien.ac.at
> Betreff: [Wien] Is there any relationship between DOS(E_F) and conductivity?
> 
> Dear All,
> We are working on two different metallic compounds. I have calculated
> total DOS at Fermi level, DOS(E_F), for these two compounds. Our
> result shows that the DOS(E_F) of the first compound is larger than
> the  DOS(E_F) of the second compound. Can I conclude from this
> observation that the first compound is more metallic than the second
> compound? Can we compare conductivity of these two compounds using
> their total DOS values at Fermi levels? Can you cite a reference in
> this respect?
> Best regards,
>
 S. Pourmasoud
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien


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