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Hyperfine Interactions in USb2 Crystal

A. Fathi·S. Jalali Asadabadi·M. G. Rad
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Abstract

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.

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A. Fathi, S. Jalali Asadabadi, M. G. Rad. 2007-01-20. Hyperfine Interactions in USb2 Crystal. https://arxiv.org/abs/cond-mat/0701497

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