[Wien] spin-orbit coupling and magnetic anisotropy

[Pavel Novak]

Dear Martin,

all you wrote is correct. To get non-Heisenberg exchange you can use 
non-collinear WIENNCM of Robert Laskowski. There you can fix the 
directions of selected spins, calculate the total energy as function of 
angle between the spins and map the result on whatever Hamiltonian you 
like. We did it once with Stefaan Cottenier for magnetite and it works.

Regards
Pavel

On Wed, 25 May 2011, pieper 
wrote:

> Dear community
>
> A question concernig spin-orbit coupling, and from there magnetic
> anisotropy: From Pavel Novak's lecture notes on the calculation of
> so-coupling in Wien2k I understand that this contribution to the
> Hamiltonian is taken into account within the RMT only. Am I correct that,
> thereby, Wien2k will only give information on what is termed the single-ion
> anisotropy, but NOT on the anisotropic exchange (pseudo-dipolar)
> interaction which arises if so-interaction on two neighboring ions is
> treated with the Heisenberg exchange interaction as a perturbation? This
> anisotropy is, of course, particularly important for spin-1/2 systems like
> Cu2+ where the single-ion anisotropy vanishes.
>
> Best regards,
>
> Martin
> 
>
> -- 
> Dr. Martin Pieper
> Karl-Franzens University
> Experimentalphysik
> Universitätsplatz 5
> A-8010 Graz
> Austria
> Tel. +43-1-58801-13132
> +43-316-380-8564
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