[Wien] Optical graph of spin polarized system

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Apr 8 08:42:29 CEST 2015


The imag part of epsilon can be plotted separately for spin-up/dn, but 
the real part, coming from a Kramers-Kronig relation is defined only for 
the total.
With unpolarized light you can measure anyway only the total absorption.

For "magneto-optical" effects, you need to consider also spin-orbit 
coupling.


On 04/04/2015 03:15 PM, Junaid Munir wrote:
> Dear all,
>
> I am doing spin polarized calculation of a half metal compound. My
> question is
>
> For optical properties, when we do step addjoint-updn_lapw what does it
> means? Does it combine the plot for both spin-up and spin-down?  Can we
> represent the plot of real and imaginary parts for spin-up and spin-down
> separately? Or one plot which we get includes both spin-up and down?
>
> Regards,
> Junaid
>
>
> _______________________________________________
> 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