[Wien] Orientation of Atomic orbital Moments

[Robert Laskowski]

> Does it mean in my system, the orbital moment is 0.7 uB
> along (01-1) direction ?

I think so
>
> > I think you have to add spin and orbital moments.
>
> sorry, I cannot fully understand this comment.

total magnetic moment is a sum of spin and orbital contribution.


>
> > But S_x and  S_y are not calculated, and you can only
> > hope they are zero.
>
> Since in my system, the S_z is almost saturated, being
> close to the expected maximum S,  I  would assume
> the S_x/S_y to be small.  If this is the case, does it mean
> in my system, the easy magnetization axis is along
> the (01-1) direction, which is also the spin orientation
> due to spin-orbit coupling.

You have to run calculations with spin moment in (01-1) direction to say that.
If you get lowest energy for c direction, then it means that your total moment 
is slightly off the c due to orbital contribution.

regards


-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15678
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