Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6.
Phys Rev Lett
; 109(15): 157401, 2012 Oct 12.
Article
en En
| MEDLINE
| ID: mdl-23102366
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.
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Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Año:
2012
Tipo del documento:
Article
País de afiliación:
Estados Unidos