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

[Abderrahmane Reggad]

I have made calculations for 5 3d transition metal sulphides with the
method PBE+EECE and I have found that all the results are ok with the
exception of the vanadium sulphide.

I have made 3 calculations (nm, fm and afmI ) to determine the magnetic
state for all the compounds and I found them to have afm state.

The problem is about the atomic magnetic moment of vanadium and for the
other results which are not reliable because there is one study where they
used the non magnetic and paramagnetic states with the same meaning which
is contrary to what said Pr Blaha and they mentionned that they have found
to be non magnetic without details.

You will find the study in the following link

https://www.researchgate.net/profile/J_Hafner/publication/216328826_Magnetism_and_magneto-structural_effects_in_transition-metal_sulfides/links/00463525eaa9e1230f000000.pdf

Best regards
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