Néel pair anisotropy syntax

[Freya Johnson]

Hello,
I would like to use Néel pair anisotropy in the bulk to approximate spin-orbit interactions, as described in this paper: https://aip.scitation.org/doi/10.1063/1.5038006 by Sarah Jenkins and Richard Evans.
My question is just about syntax - in my material file, material 1 is the non-magnetic atom with large spin-orbit coupling, while 2,3 and 4 are the magnetic atoms. Is this the correct way to add it:
material[2]:neel-anisotropy-constant[1] = 4.22e-22 !J
material[3]:neel-anisotropy-constant[1] = 4.22e-22 !J
material[4]:neel-anisotropy-constant[1] = 4.22e-22 !J
I need material 1 in the simulation for this purpose, but otherwise it is non-magnetic. How do I include it?
Many thanks,
Freya

[Richard Evans]

Hi,

So you need to include material 1 as normal, but make it non-magnetic as follows:

material[1]:non-magnetic = keep

Which keeps the atoms for simulation purposes but they do not contribute to dipole fields or magnetisation.

All the best,

Richard 

--
You received this message because you are subscribed to the Google Groups "Vampire Users" group.
To unsubscribe from this group and stop receiving emails from it, send an email to vampire-user...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/vampire-users/5d3d39af-5156-4b67-bbc6-d1962bc7e126n%40googlegroups.com.

[Freya Johnson]

Thank you, the simulation is working now.

Best wishes,

Freya