[Wien] a question about OPTIC

Igor Mazin wienuser at yahoo.com
Mon Jul 25 17:02:59 CEST 2005


No, you cannot.

The answer depends on what is the size (and sometimes
the shape) of the individual grains in the smaple that
is being measured. In some cases one should average
epsilon, as suggested below (and derive the
measurables from the average epsilon), in the other
the measured quanity (reflectivity or EELS function,
-Im[1/eps]), and, if needed, reconstruct the effective
epsilon from the averaged measurable. The point is
that the "average" epsilon for a polycrystalline
sample depends on what experiment is being discussed.
These issues are subject of the effective media theory
in optics.

--- mehrdad dadsetani <dadsetani_m at yahoo.com> wrote:

> Hi Ruijan,
> you can obtain the total imaginary part of
> dielectric
> function
> with (2*Exx+Ezz)/3 and for the other parameter as
> same.
> Regads
> M.dadsetani
> isfahan university, Iran
> 
> 
> --- Ruijuan Xiao <rjxiao at blem.ac.cn> wrote:
> 
> > Dear users,
> >   When I use the OPTIC program in WIEN2k to
> > calculate the dielectric functions and loss
> > functions, I found that there are two or three
> > components to epsilon for the non-cubic
> systems(e.g.
> > for hexagonal,they are epsilon(xx) and
> > epsilon(zz)).I wonder can the final epsilon and
> loss
> > function be obtained by simply averaged over these
> > different components?
> >   
> >   I am looking forward to your reply. Thank you
> very
> > much.
> > 
> > Best regards,
> > 
> > Sincerely,
> > Ruijuan Xiao
> > 
> > 
> > 
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> > Wien at zeus.theochem.tuwien.ac.at
> >
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http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> 
> 
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