[Wien] [SPAM?] Re: [SPAM?] Help about Spin configration in FM/I/FM trilayers

[Martin Pieper]

Dear Bahram Abedi,

I am not sure which program you mean when you think "in determining the space 
group, rotates " the magnetization. Do you include Spin-Orbit coupling? As 
long as you do NOT include Spin-Orbit coupling in your calculations, the spin 
and space parts of the Hamiltonian are decoupled and  the orientation of the 
spin in the crystalografic system is free - and consequently I am not aware 
of any way to tell Wien2k in which direction the moments should point besides 
in case.inso, 

Regards, Martin
 
Am Sonntag, 28. März 2010 schrieb Bahram Abedi:
> Dear Wien2k users,
>         My case.struct is a Ferromagnetic / Insulator / Ferromagnetic
> trilayer (Magnetic Tunnel Junction (MTJ)). May somebody please help me
> about how to put the magnetic moments of the electrodes perpendicular to
> the MTJ’s direction? In trying to do so I build the MTJ’s supercell in the
> x-direction but wien2k, in determining the space group, rotates it into the
> z-direction and the final result is that both the MTJ and the electrodes’
> moments are in the same direction. A Figure of the MTJ can be found at:
> doi:10.1016/j.ssc.2009.10.040 Regards,
> Bahram Abedi
>
>
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-- 
Dr. Martin W. Pieper
Institut f. Physik, 
Karl-Franzens Universität Graz
Universitätsplatz 5, 
A - 8010 Graz, AUSTRIA
Tel.: +43-316-380-8564, Fax: +43-316-380-9816,
email: martin.pieper at ifp.tuwien.ac.at