title: Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6.
abstract: The electronic structure of Sr3CuIrO6, a model system for the 5d Ir ion in an octahedral environment, is studied through a combination of resonant inelastic x-ray scattering and theoretical calculations. Resonant inelastic x-ray scattering spectra at the Ir L3 edge reveal an Ir t(2g) manifold that is split into three levels, in contrast to the expectations of the strong spin-orbit-coupling limit. Effective Hamiltonian and ab inito quantum chemistry calculations find a strikingly large noncubic crystal field splitting comparable to the spin-orbit coupling, which results in a strong mixing of the j(eff)=1/2 and j(eff)=3/2 states and modifies the isotropic wave functions on which many theoretical models are based.
authors.affiliation: Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973, USA. xliu@bnl.gov
authors.forename: X
authors.initials: X
authors.lastname: Liu
authors.forename: Vamshi M
authors.initials: VM
authors.lastname: Katukuri
authors.forename: L
authors.initials: L
authors.lastname: Hozoi
authors.forename: Wei-Guo
authors.initials: WG
authors.lastname: Yin
authors.forename: M P M
authors.initials: MP
authors.lastname: Dean
authors.forename: M H
authors.initials: MH
authors.lastname: Upton
authors.forename: Jungho
authors.initials: J
authors.lastname: Kim
authors.forename: D
authors.initials: D
authors.lastname: Casa
authors.forename: A
authors.initials: A
authors.lastname: Said
authors.forename: T
authors.initials: T
authors.lastname: Gog
authors.forename: T F
authors.initials: TF
authors.lastname: Qi
authors.forename: G
authors.initials: G
authors.lastname: Cao
authors.forename: A M
authors.initials: AM
authors.lastname: Tsvelik
authors.forename: Jeroen
authors.initials: J
authors.lastname: van den Brink
authors.forename: J P
authors.initials: JP
authors.lastname: Hill