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

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

Abstract

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.

Authors:

^[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)

Publication Date:: Wed Nov 22 00:00:00 EST 2017

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

Sponsoring Org.:: USDOE

OSTI Identifier:: 1486965

Alternate Identifier(s):: OSTI ID: 1409870

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 96; Journal Issue: 18; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Calder, Stuart A., Singh, David J., Garlea, Vasile O., Lumsden, Mark D., Shi, Y. G., Yamaura, K., and Christianson, Andrew D. Interplay of spin-orbit coupling and hybridization in Ca3LiOsO6 and Ca3LiRuO6.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevB.96.184426.

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                    Calder, Stuart A., Singh, David J., Garlea, Vasile O., Lumsden, Mark D., Shi, Y. G., Yamaura, K., & Christianson, Andrew D. Interplay of spin-orbit coupling and hybridization in Ca3LiOsO6 and Ca3LiRuO6.  United States.  https://doi.org/10.1103/PhysRevB.96.184426

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                    Calder, Stuart A., Singh, David J., Garlea, Vasile O., Lumsden, Mark D., Shi, Y. G., Yamaura, K., and Christianson, Andrew D. Wed .  
"Interplay of spin-orbit coupling and hybridization in Ca3LiOsO6 and Ca3LiRuO6".  United States.  https://doi.org/10.1103/PhysRevB.96.184426.  https://www.osti.gov/servlets/purl/1486965.

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@article{osti_1486965,

  title        = {Interplay of spin-orbit coupling and hybridization in Ca3LiOsO6 and Ca3LiRuO6},

  author       = {Calder, Stuart A. and Singh, David J. and Garlea, Vasile O. and Lumsden, Mark D. and Shi, Y. G. and Yamaura, K. and Christianson, Andrew D.},

  abstractNote = {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.},

  doi          = {10.1103/PhysRevB.96.184426},

  journal      = {Physical Review B},

  number       = 18,

  volume       = 96,

  place        = {United States},

  year         = {Wed Nov 22 00:00:00 EST 2017},

  month        = {Wed Nov 22 00:00:00 EST 2017}

}

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https://doi.org/10.1103/PhysRevB.96.184426

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Cited by: 11 works

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Figures / Tables:

FIG. 1: (a) Neutron powder diffraction data (black) and model (red) for Ca₃LiRuO₆ at 4 K. Tick marks correspond to, from top to bottom, the crystal structural, magnetic structure and Al sample holder. Inset: intensity of magnetic reflection at 2θ=22°. (b) Ca₃LiOsO₆ and Ca₃LiRuO₆ form the hexagonal 2H-perovskite structure. Magneticmore »

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Title: Interplay of spin-orbit coupling and hybridization in Ca 3 LiOsO 6 and Ca 3 LiRuO 6

Abstract

Citation Formats

Figures / Tables:

Generalized Gradient Approximation Made Simple journal, October 1996

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

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