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Orbital Kondo Effect in CrO2: A LSDA+DMFT Study

L. Craco, M. S. Laad, E. Müller-Hartmann

cond-mat.str-elarXiv:cond-mat/0209132

Abstract

Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of CrO2, we present results based on a combination of the actual bandstructure [3] with dynamical mean-field theory (DMFT) for the multi-orbital case. In striking contrast with LSDA(+U) [3] and model many-body approaches [14], much better semiquantitative agreement with (i) recent photoemission results, (ii) domain of applicability of the half-metal concept, and (iii) thermodynamic and dc transport data, is obtained within a single picture. Our approach has broad applications for the detailed first principles investigation of other transition metal oxide-based half-metallic ferromagnets.

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