Phase Diagram of Pyrochlore Iridates: All-in–All-out Magnetic Ordering and Non-Fermi-Liquid Properties
Year: 2015
Type: article
Abstract: 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.
Source: Physical Review Letters
Institutions: University of Fribourg, ETH Zurich, The University of Tokyo
Language: English
Subfield: Condensed Matter Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funders: Deutsche Forschungsgemeinschaft, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Eidgenössische Technische Hochschule Zürich, European Research Council, Japan Society for the Promotion of Science, National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials
OpenAlex ID: W2155302803