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

TL;DR

This study investigates how spin-orbit coupling and hybridization influence magnetism in Ca3LiOsO6 and Ca3LiRuO6, revealing that both interactions are crucial for understanding their magnetic properties.

Contribution

It demonstrates the importance of considering both spin-orbit coupling and hybridization in describing the magnetic behavior of 5d and 4d oxides, especially in intermediate coupling regimes.

Findings

Alteration of spin-gap and local moments between compounds

Magnetic structure and Neel temperature remain unchanged

Both spin-orbit coupling and hybridization are essential for accurate modeling

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.