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

Calder, Stuart A.; Singh, David J.; Garlea, Vasile O.; Lumsden, Mark D.; Shi, Y. G.; Yamaura, K.; Christianson, Andrew D.

doi:10.1103/PhysRevB.96.184426

Interplay of spin-orbit coupling and hybridization in ${Ca}_{3} {LiOsO}_{6}$ and ${Ca}_{3} {LiRuO}_{6}$

Journal Article · Tue Nov 21 23:00:00 EST 2017 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.96.184426· OSTI ID:1486965

^[1]; Singh, David J. ^[2]; ^[1]; ^[1]; Shi, Y. G. ^[3]; Yamaura, K. ^[4]; ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Missouri, Columbia, MO (United States)
Chinese Academy of Sciences (CAS), Beijing (China)
National Institute for Materials Science, Ibaraki (Japan); Hokkaido Univ., Hokkaido (Japan)

Here, 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, Néel 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 5d oxides.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1486965

Alternate ID(s):: OSTI ID: 1409870

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 18 Vol. 96; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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