[Wien] About the magnetic moment of vanadium in vanadium sulphide

Abderrahmane Reggad jazairdz at gmail.com
Tue Sep 12 16:57:34 CEST 2017


Hi Martin

I still confused and not convinced with my results.

It's not the band gap of NiS to take as the only criterion for the choice
of the amount of excact exchange, but also the experimental values of
magnetic moment. This amount allows me to get magnetic moment values close
to the experimental values for many 3d transition metal sulphides like NiS,
CrS, FeS and CoS.

For the use of EECE method for NiS semiconductor ; this later is not a sp
semiconductor but  a splitting d bands semiconductor.


Best regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170912/3b5c5195/attachment.html>


More information about the Wien mailing list