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

In summary, the conversation discusses the collaboration between two individuals working with statistical mechanics and first principle calculations. They are seeking a way to calculate the exchange interaction and anisotropic constant of bulk materials using the Blume-Capel model and mention a possible method, 4 states method, which can be found in 10.1103/PhysRevB.84.224429. The conversation ends with a thank you.
  • #1
UFSJ
15
2
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 !
 
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  • #2
UFSJ said:
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.
 
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