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Screened moments and absence of ferromagnetism in FeAl

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arxiv 1506.00908 v2 pith:5OQXI4J6 submitted 2015-06-02 cond-mat.str-el

Screened moments and absence of ferromagnetism in FeAl

classification cond-mat.str-el
keywords ferromagnetismfealfoundmomentstemperaturesabsenceapproachesband-theory
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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abstract

While the stoichiometric intermetallic compound FeAl is found to be paramagnetic in experiment, standard band-theory approaches predict the material to be ferromagnetic. We show that this discrepancy can be overcome by a better treatment of electronic correlations with density functional plus dynamical mean field theory. Our results show no ferromagnetism down to 100 K and since the susceptibility is decreasing at the lowest temperatures studied we also do not expect ferromagnetism at even lower temperatures. This behavior is found to originate from temporal quantum fluctuations that screen short-lived local magnetic moments of 1.6 $\mu_B$ on Fe.

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