Evolution of electronic correlations across the rutile, perovskite, and Ruddelsden-Popper iridates with octahedral connectivity

Spin-orbit coupling driven insulating state in hexagonal iridates Sr3MIrO6 ( M=SrMing1, Wan2, Autieri3 et al. 2018Phys. Rev. B172110View full textAdd to dashboardCite

“…On the other hand, although having large SOC effects in the first-proposed SOC induced Mott insulator Sr 2 IrO 4 , the j eff = 1/2 and j eff = 3/2 bands are mixed together due to obviously tetragonal structural distortions and large octahedral rotations, and it needs a modest U combined with SOC to open up an insulating gap [6,8]. These results demonstrate that the decreasing of the connectivity of the IrO 6 octahedra leads to an increasing of the electron-electron interaction impact [9], accompanied by an enhancement of SOC effects [4]. By introducing on-site…”

“…However, decreasing connectivity of IrO 6 octahedra gives rise to the enhancement of effective electronic correlations and SOC interactions, leading to the significant localized and fully polarized unmixed J eff = 1/2 state in Sr 4 IrO 6 [4,9]. Therefore, due to the peculiar crystal structure, strong SOC effects and electronic correlations, in contrast to the expectation from the itineracy of 5d iridates, a low-spin state with large local moment emerges in Sr 4 IrO 6 .…”

“…The noncubic crystal field and the band structure effect have been proposed to result in the breakdown of the J eff = 0 NM states in double-perovskite iridates with pentavalent (5d 4 ) Ir 5+ ions [41,57]. The electronic correlations and SOC interactions closely link with the connectivity of the IrO 6 octahedra [4,9,57]. The almost not-distorted IrO 6 octahedra are well separated with each other, leading to disconnected geometry and large Ir-Ir separation, thereby bringing the situation closer to the atomic limit in hexagonal Sr 3 NaIrO 6 and Sr 3 LiIrO 6 .…”

Symmetry demanded topological nodal-line materials

“…Rutile oxides [75,140,153,154]: RO 2 , where R could be Ir, Os, and Ru, crystalizes in rutile-type lattice structures in space group P4 2 /mnm No. 136.…”

“…Band structure without and with SOC Nodal line distribution without and with SOC ARPES [139,140] References [66,67,76,139,[144][145][146][147][148][149][150] [ 75,140,153,154] and (110). They are protected by mirror reflection symmetry without SOC and can be transformed to each other by either inversion or time-reversal symmetry.…”