Phase Diagram of Pyrochlore Iridates: All-in-All-out Magnetic Ordering and Non-Fermi-Liquid Properties

作者：Shinaoka Hiroshi^*; Hoshino Shintaro; Troyer Matthias; Werner Philipp

来源：Physical Review Letters, 2015, 115(15): 156401.

DOI：10.1103/PhysRevLett.115.156401

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 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.

• 出版日期2015-10-7