[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
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
--
P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--------------------------------------------------------------------------
More information about the Wien
mailing list