Interatomic exchange coupling of BCC iron

 Abstract  

We performed first-principle calculations on the exchange interaction (EI) between atoms in BCC-Fe strained volumetrically. Our results show that the volume-dependence of the EI deviates considerably from the Bethe-Slater curve. This behavior is discussed in terms of the on-site and/or inter-site direct exchange interactions between electrons.

 

https://arxiv.org/ftp/arxiv/papers/1005/1005.2931.pdf