Re: [Wien] Optical properties of half-metals

[Rashid Ahmad]

Dear Peter and Karel,Thank you so much for explanations. I have actually now 
done it for half-Heusler alloy RuMnP. I am attaching my plots for reference.
Best Regards 
 Rashid

RuMnPOpticalProperties-eps-converted-to.pdf
Description: Adobe PDF document


RuMnAsOptimizatnN-eps-converted-to.pdf
Description: Adobe PDF document
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Re: [Wien] Optical properties of half-metals

[Rashid Ahmad]

 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  
wrote:
 

  Rashid

 On Monday, May 22, 2017 6:57 AM, Karel Vyborny  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
> 
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Re: [Wien] Optical properties of half-metals

[Karel Vyborny]

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

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[Wien] Optical properties of half-metals

[Rashid Ahmad]

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___
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