[Wien] Optical properties of half-metals

Rashid Ahmad rashid_physics at yahoo.com
Mon May 22 20:20:36 CEST 2017


 Dear Prof. Karel,                         Thank you very much for the reply and help!  I have done the same calculations as you suggested, but when I try to plot them in xmgrace separately for spin-up and spin-down channel I fail to get the two separate independent plots. Although the same can be done with band structure plots where we can plot the band gap in spin-up and spin-down channels separately and independently. 

So can you suggest how to plot e.g. dielectric function or refractive index of half metal for spin-up and spin-down channels in two independent figures? 

I actually want to know the dependence of optical properties on the spin degrees of electrons.

Best Regards 
Rashid 

    On Monday, May 22, 2017 9:04 AM, Rashid Ahmad <rashid_physics at yahoo.com> wrote:
 

  Rashid

     On Monday, May 22, 2017 6:57 AM, Karel Vyborny <vybornyk at fzu.cz> wrote:
 

 Sure. That's what you normally do as long as you don't include SO 
interaction.

...
x optic -c -up 
x joint -up
x kram -up

And then you get case.epsilonup  Repeat the same with switches -dn and get 
case.epsilondn  These two (permittivities) have to be added up to get 
what you measure e.g. by ellipsometry.

Karel


--- x ---
dr. Karel Vyborny
Fyzikalni ustav AV CR, v.v.i.
Cukrovarnicka 10
Praha 6, CZ-16253
tel: +420220318459


On Sat, 20 May 2017, Rashid Ahmad wrote:

> Dear All,
>                        Is it possible to calculate optical properties of
> spin-up and spin-down electrons half-metals such as Heuslers, separately
> using WIENk? For example,  refractive index of spin-up channel and spin-down
> channel plotted separately?
>  
> Rashid
> 
>_______________________________________________
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


   

   
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170522/d0d7804b/attachment.html>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: Untitled
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170522/d0d7804b/attachment.ksh>


More information about the Wien mailing list