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Phys. Rev. Lett. 90, 237203 (2003) [4 pages]

Orbital Kondo Effect in CrO2: A Combined Local-Spin-Density-Approximation Dynamical-Mean-Field-Theory Study

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L. Craco, M. S. Laad, and E. Müller-Hartmann
Institut für Theoretische Physik, Universität zu Köln, Zülpicher Strasse, 50937 Köln, Germany

Received 5 September 2002; published 10 June 2003

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 band structure with dynamical-mean-field theory for the multiorbital case. In striking contrast to LSDA(+U) and model many-body approaches, 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.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.90.237203
DOI:
10.1103/PhysRevLett.90.237203
PACS:
75.10.Lp, 71.28.+d, 74.25.Jb