Phase Diagram of Pyrochlore Iridates: All-in-All-out Magnetic Ordering and Non-Fermi-Liquid Properties.
- Shinaoka H Theoretische Physik, ETH Zürich, 8093 Zürich, Switzerland.
- Hoshino S Department of Physics, University of Fribourg, 1700 Fribourg, Switzerland.
- Troyer M Theoretische Physik, ETH Zürich, 8093 Zürich, Switzerland.
- Werner P Department of Physics, University of Fribourg, 1700 Fribourg, Switzerland.
- 2015-11-10
Published in:
- Physical review letters. - 2015
English
We study the prototype 5d pyrochlore iridate Y_{2}Ir_{2}O_{7} from first principles using the local density approximation and dynamical mean-field theory (LDA+DMFT). We map out the phase diagram in the space of temperature, on-site Coulomb repulsion U, and filling. Consistent with experiments, we find that an all-in-all-out ordered insulating phase is stable for realistic values of U. The trigonal crystal field enhances the hybridization between the j_{eff}=1/2 and j_{eff}=3/2 states, and strong interband correlations are induced by the Coulomb interaction, which indicates that a three-band description is important. We demonstrate a substantial band narrowing in the paramagnetic metallic phase and non-Fermi-liquid behavior in the electron- or hole-doped system originating from long-lived quasi-spin-moments induced by nearly flat bands.
- Language
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- English
- Open access status
- green
- Identifiers
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- DOI 10.1103/PhysRevLett.115.156401
- PMID 26550736
- Persistent URL
- https://folia.unifr.ch/global/documents/155180
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