[Wien] question about optical properties

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Oct 28 12:41:30 CET 2014


In practice they are the same.

In principle you have to calculate in addition the interband transitions 
(6 in joint) and get the plasma frequency.

This plasma frequency should be added as input in case.inkram, but I 
guess it is not programmed for a spin-polarized case.

As it concerns only a small region around E=0, you probably can forget 
it (it depends on what you want to calculate exactly.

On 10/07/2014 03:50 PM, ben amara imen wrote:
> Dear all ,
>
> I'm working on magnetic semiconductor: it is a half metal :  a
> semiconductor for spin up and a metal for spin down.
>
> When I calculate the optical properties , I do it for spin up ( a
> semiconducting aspect )  and for spin down ( metallic aspect) , then I
> addjoint the two spin up-dn
> *My question is:*
> The calculation steps are the same for spin up and down? there is no
> difference between them . I mean : in the case of spin down when the
> compound is a metal, I introduce the intraband transitions even if the
> compound is a semi metal??
>
> Waiting your reply and thanks in advance
>
> Best Regards
> Imen
>
>
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-- 

                                       P.Blaha
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