[Wien] exchange interaction J

[Lara Kühl Teles]

Dear M. Foroughpour

Please see our paper at Phys. Rev. B:

http://prb.aps.org/abstract/PRB/v81/i11/e115209

If you stil lhave doubts you can contact me (lkteles at ita.br).

Regards,
Prof. L. K. Teles

2010/9/26 marziye foroughpour <dornaforoughpour at gmail.com>

>
> Dear wien2k users,
>
>    I want to estimate the Curie temperature within Mean-field theory.
>  You know that for calculation this temperature I need exchange
> interaction in   Heisenberg Hamiltonian and with J,j= ~-~) d, Im
> Trt.{A,i;JAji~' }. ,
> I'd like to know How can I calculate exchange interaction (J) by Wien2k
>  for a
> system with Half-metallic ferromagnetic property If it's
> possible??
> I heard about  connection between J and difference energy s of
> ferromagnetic and paramagnetic structure, what  ratio is between J and those
> energie
>
> M. Foroughpour
> Department of Physics
> Shiraz University
>
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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>
>


-- 
Profa. Dra. Lara Kühl Teles
__________________________
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Instituto Tecnológico de Aeronáutica (ITA)
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