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

[Bahram Abedi]

Dear Dr. Pieper

        Thank you so much for your guidance. The problem is now resolved by running a
spin-orbit coupled calculation and choosing the magnetization in the x-direction. 
        (First I wrongly thought that the magnetization is by default in the z-direction
and hence I was trying to build my supercell perpendicular to that.)
Best Wishes,
Bahram Abedi




 
 
 
>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. M?rz 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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