Interatomic exchange coupling of BCC iron
classification
❄️ cond-mat.mtrl-sci
physics.comp-ph
keywords
exchangeatomsbcc-febehaviorbethe-slatercalculationsconsiderablycoupling
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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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