SQS constructs to model spin-disorder

[avgjoe]

How to model spin-disorder instead of (or on top of) occupancy/chemical disorder using the SQS approach in ATAT ?

[yiwang_atat]

Hi,

I have done that. Taking bcc Fe as an example. When modeling paramagnetic bcc Fe, just assuming there are two species, Fe_up and Fe_down.
Then everything is just the same as if you were treating chemical disorder.

This is a supercell analogy of the disordered local moment picture. In this picture, collinear magnetism is imposed. There is, however, no direct way within the SQS to model the general spin disorder, which might involve the non-collinear magnetism.

[avdw]

If the spins take one of a finite set of possible orientations, one could in principle generate a multicomponent SQS to solve this problem.

[Cui_xin]

Hi,

I have done that. Taking bcc Fe as an example. When modeling paramagnetic bcc Fe, just assuming there are two species, Fe_up and Fe_down.
Then everything is just the same as if you were treating chemical disorder.

This is a supercell analogy of the disordered local moment picture. In this picture, collinear magnetism is imposed. There is, however, no direct way within the SQS to model the general spin disorder, which might involve the non-collinear magnetism.

hello,
I am interesting in paramagnetic setting! Can you give me some advices? My e-mail is [email protected]. If I can be teached by you ,I will be greatful .
Looking forword to your reply