Rotationally invariant exchange interaction: The case of paramagnetic iron

We present a generalization of the spin-fluctuation theory of magnetism which allows us to treat the full rotational invariance of the exchange interaction. The approach is formulated in terms of the local density approximation plus dynamical mean-field theory (LDA + DMFT), providing a systematic ma...

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Veröffentlicht in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2012-07, Vol.86 (3), Article 035152
Hauptverfasser: Anisimov, V. I., Belozerov, A. S., Poteryaev, A. I., Leonov, I.
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Sprache:eng
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Zusammenfassung:We present a generalization of the spin-fluctuation theory of magnetism which allows us to treat the full rotational invariance of the exchange interaction. The approach is formulated in terms of the local density approximation plus dynamical mean-field theory (LDA + DMFT), providing a systematic many-body treatment of the effect of spin-density fluctuations. This technique is employed to study the electronic and magnetic properties of paramagnetic alpha iron. Our result for the Curie temperature is in good agreement with experiment, while the calculations with the Ising-type exchange interaction yield almost twice the overestimated value.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.86.035152