Interatomic exchange coupling of BCC iron
arXiv:1005.2931 · doi:10.1103/PhysRevB.82.144304
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.
22 pages, 7 figures