A Magnetic exchange interaction by first principle (Blume-Capel model)

[UFSJ]

Hi guys.

I work with statistichal mechanics, applying classical spin models, as Ising model. I'm trying a collaboration with a colleague that works with first principle calculations. Does anyone know how to calculate the exchange interaction and anisotropic constant (of the Blume-Capel model), of bulk materials, by first principle??

Thanks a lot !

 

[Adotar]

Hi guys.

I work with statistichal mechanics, applying classical spin models, as Ising model. I'm trying a collaboration with a colleague that works with first principle calculations. Does anyone know how to calculate the exchange interaction and anisotropic constant (of the Blume-Capel model), of bulk materials, by first principle??

Thanks a lot !

Hi.

You can try 4 states method, details in 10.1103/PhysRevB.84.224429. I hope that will be helpful.