[Wien] the resistivity calculation for spin polarized system from Boltztrap code?

halim said halim_said04 at yahoo.fr
Thu Apr 10 04:05:32 CEST 2008


Dear Wien  developers and users


I am interested to calculate the total electric conductivity for spin polarized as Fe. From the Boltztrap code the results for electric conductivity are produced for spin up  and spin down separately. 

I have please a question how to get the total electric conductivity for spin polarized case of Fe (is the total electrical conductivity is found from total density of states of ferromagnetic state ( Tot DOS tot=DOS up+DOSdn) is it correct or not ? or the summation of electrical conductivity from up and down channels.  The electrical conductivity is function of the unit of relaxation time, I could not figure out how to get the total electrical conductivity if I don't know the experimental value of relaxation time!!!!!!!!

I will appreciate if you give me some hints about this point please.


and how can we calculate the resistivity after getting the total electric conductivity for spin polarized case of Fe. The resistivity is the inverse of electric conductivity from definition since relaxation time is constant in this approximation?


I will appreciate your answer to my question.

Regards,

Halim

       
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