[Wien] What's the crystal structure of NaCl in antiferromagnetic calculation

[delamora]

Both structures are almost the same, the rhombohedral one is shortened or elongated in the 111 direction

If the cell is shortened then the Ni-Ni distance in the 111 planes is larger than the distance between planes, then there is an antiferromagnetic ordering, with Ni up in one plane and Ni dn in the next.

The cubic FCC has frustration, which leads to non-magnetic ordering or as you say stays paramagnetic.

________________________________
Thank you again for the detailed explanation.

I have some comments to make


Every one knows that the magnetic ordering of the NaCl structure of NiO is paramagnetic, while that of the rhombohedral structure is antiferromagnetic.

But, my question is about if we have no information about the material. We have to study the magnetic nature of the material under different crystal structures.

Thank you again



--
Mr: A.Reggad

Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie


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