[Wien] How to simulate the spin reorientation in the magnetic study

[Víctor Luaña Cabal]

On Wed, Jun 15, 2016 at 07:50:55PM +0100, Abderrahmane Reggad wrote:
> 
> we know that the spin reorientation in the magnetic structure has an effect
> on the physicak properties of materials.
> 
> How to simulate that using the wien2k code

That's not a particular issue on wien2k. That's a problem of coupling
spins in your system, be it a molecule, a crystal or any other type
of system.

In the case of a crystal you are interested in the type of magnetism,
which is the result of the coupling of spins. In wien2k you decide
the crystal cell to explore and define the type of magnetism for your
atructure.

Just to mention some simple sources to start:
<https://en.wikipedia.org/wiki/Magnetism>
<https://en.wikipedia.org/wiki/J-coupling>

Notice the vec{j}=\vec{l}+\vec{s}, so it includes the orbital and
spinorial moments of the electron.

In the case of light atoms and impurities on solids you will see
an independent coupling of \vec{l}'s to form \vec{L}, and \vec{s}'s
to form \vec{S} before finally \vec{L} and \vec{S} couple to form the
total \vec{J} momentum-

<https://en.wikipedia.org/wiki/Angular_momentum_coupling>

Best regards,
              Víctor Luaña

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===(((==)))==================================+=========================
! Dr.Víctor Luaña, in silico chemist & prof. !
! Departamento de Química Física y Analítica !
! Universidad de Oviedo, 33006-Oviedo, Spain ! 
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