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Published Online November 1, 2007
Science DOI: 10.1126/science.1149064

Reports

Submitted on August 10, 2007
Accepted on October 16, 2007

Modeling the Localized to Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5

J. H. Shim 1, K. Haule 1, G. Kotliar 1

1 Center for Materials Theory, Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854, USA.

We address the fundamental question of crossover from localized to itinerant state of a paradigmatic heavy fermion material CeIrIn5. The temperature evolution of the one electron spectra and the optical conductivity is predicted from first principles calculation. The buildup of coherence in the form of a dispersive many body feature is followed in detail and its effects on the conduction electrons of the material is revealed. We find multiple hybridization gaps and link them to the crystal structure of the material. Our theoretical approach explains the multiple peak structures observed in optical experiments and the sensitivity of CeIrIn5 to substitutions of the transition metal element and may provide a microscopic basis for the more phenomenological descriptions currently used to interpret experiments in heavy fermion systems.



THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
Electronic duality in strongly correlated matter.
T. Park, M. J. Graf, L. Boulaevskii, J. L. Sarrao, and J. D. Thompson (2008)
PNAS 105, 6825-6828
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Science. ISSN 0036-8075 (print), 1095-9203 (online)