Shinaoka, Hiroshi Hoshino, Shintaro Troyer, Matthias Werner, Philipp 2015-10-07 We study the prototype 5d pyrochlore iridate Y2Ir2O7 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 jeff=1/2 and jeff=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. application/pdf https://folia.unifr.ch/global/documents/304687 https://folia.unifr.ch/documents/304687/files/wer_pdp.pdf eng info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.115.156401 info:eu-repo/semantics/openAccess License undefined Physical Review Letters. - 2015, vol. 115, no. 15, p. 156401 info:eu-repo/classification/udc/53 Phase diagram of pyrochlore iridates: all-in\char21{}All-out magnetic ordering and non-Fermi-liquid properties http://purl.org/coar/resource_type/c_6501