[Wien] Exchange interaction parameters

[Vladimir Timochevski]

Dear Victor,

If you are interested in exchange integrals you can directly compare the
total energies of different spin configurations (collinear). 
Then you map them on the Heisenberg-type model.
This method (as well as a more complicated one) was used in the paper by
Yaresko et al, PRB 65 115111 (2002). They did it with LMTO, but
philosophy remains the same.

Best regards,
Vladimir. 

Victor Shaposhnikov wrote:
> 
> Dear WIEN users,
> 
> Does  anybody  know  how to calculate the exchange interaction between
> two  magnetic  atoms  in  solid?  Or  may  be  this information can be
> extracted  from  some  of  WIEN  output  files?  Exchange  interaction
> parameters can be used, for example, to estimate the Curie temperature
> of ferromagnetic material in the mean-field approximation.
> 
> Best regards,
> Victor L. Shaposhnikov
> 
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---------------------------------------------
Vladimir Timoshevskii
Departement de Physique, Universite de Montreal
C.P.6128, succ. Centre-Ville, 
Montréal (Québec) Canada, H3C 3J7 
Tel.: +1 (514) 343 611 - 4226
email: Vladimir.Timochevski at umontreal.ca
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