Abstract
We study the prototype pyrochlore iridate from first principles using the local density approximation and dynamical mean-field theory (). We map out the phase diagram in the space of temperature, on-site Coulomb repulsion , and filling. Consistent with experiments, we find that an all-in–all-out ordered insulating phase is stable for realistic values of . The trigonal crystal field enhances the hybridization between the and 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.
- Received 21 April 2015
DOI:https://doi.org/10.1103/PhysRevLett.115.156401
© 2015 American Physical Society