AW: [Wien] exchange interaction

[Gerhard Fecher]

Check the articles written by Kübler or his book on magnetism (I do not have the complete references at hand).
He describes how to calculate approximate Curie or Neel temperatures. Principally you have to do separate calculations for different AFM set ups and then you can extract the necessary energies, however, the estimates may be very rough.

You may also use the method described by Liechtenstein, but this will give some programming work.


-----Ursprüngliche Nachricht-----
Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von Souraya GOUMRI-SAID
Gesendet: Fr 09.06.2006 23:34
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] exchange interaction 
 
Dear Wien2k user, 

Is it possible to calculate the exchange interaction between
two  magnetic  atoms  in  solid, using Wien2k?  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.


Thank's for your suggestion.

Souraya,

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