Interplay of spin-orbit coupling and hybridization in Ca3LiOsO6 and Ca3LiRuO6

Abstract

The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we investigate the magnetic interactions and probe how the magnetism is influenced by the change in hierarchy of interactions as we move from Ca3LiOsO6 (5d3) to Ca3LiRuO6 (4d3). An alteration of the spin-gap and ordered local moment is observed, however the magnetic structure, Neel temperature and exchange interactions are unaltered. To explain this behavior it is necessary to include both spin-orbit coupling and hybridization, indicating the importance of an intermediate coupling approach when describing 5$d$ oxides.

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• Origin of magnetic excitation gap in double perovskite Sr${}_2$FeOsO${}_6$
• Benchmark for Ab Initio Prediction of Magnetic Structures based on Cluster-Multipole Theory
• Spin-orbit coupling in a half-filled $t_{2g}$ shell: the case of $5d^3$ K${}_2$ReCl${}_6$
• Spin and orbital dynamics through the metal-to-insulator transition in Cd${}_2$Os${}_2$O${}_7$ probed with high-resolution RIXS