Interatomic exchange coupling of BCC iron

Details Interatomic exchange coupling of BCC iron Interatomic exchange coupling of BCC iron

2010-05-17

arxiv.org/abs/1005.2931v1

Phys. Rev. B 82, 144304 (2010)

Physics

Condensed Matter

Materials Science

22 pages, 7 figures

Scientific paper

10.1103/PhysRevB.82.144304

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.

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