The frustrated fcc antiferromagnet Ba2 YOsO6: Structural characterization, magnetic properties and neutron scattering studies

Kermarrec, E.; Marjerrison, Casey A.; Thompson, C. M.; Maharaj, Dalini D.; Levin, K.; Kroeker, S.; Granroth, Garrett E.; Flacau, Roxana; Yamani, Zahra; Greedan, John E.; Gaulin, Bruce D.

doi:10.1103/PhysRevB.91.075133

Title: The frustrated fcc antiferromagnet Ba₂ YOsO₆: Structural characterization, magnetic properties and neutron scattering studies

Abstract

Here we report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba₂ YOsO₆. The Fm$$\bar{3}$$m space group is found both at 290 K and 3.5 K with cell constants a₀=8.3541(4) Å and 8.3435(4) Å, respectively. Os⁵⁺ (5d³) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ~₋700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below T_N~69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μ_B on Os⁵⁺. The ordered moment is much reduced from either the expected spin-only value of ~3 μ_B or the value appropriate to 4d³ Ru⁵⁺ in isostructural Ba₂ YRuO₆ of 2.2(1) μ_B, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T=67.45 K, and the existence of a second-ordered state. We find time-of-flight inelastic neutron results reveal a large spin gap Δ~17 meV, unexpected for an orbitally quenched, d³ electronic configuration. In conclusion, we discuss this in the context of the ~5 meV spin gap observed in the related Ru⁵⁺,4d³ cubic double perovskite Ba₂YRuO₆, and attribute the ~3 times larger gap to stronger SOC present in this heavier, 5d, osmate system.

Authors:

Kermarrec, E. ^[1]; Marjerrison, Casey A. ^[2]; Thompson, C. M. ^[3]; Maharaj, Dalini D. ^[1]; Levin, K. ^[4]; Kroeker, S. ^[4]; Granroth, Garrett E. ^[5]; Flacau, Roxana ^[6]; Yamani, Zahra ^[6]; Greedan, John E. ^[7]; Gaulin, Bruce D. ^[8]

McMaster Univ., Hamilton, ON (Canada). Dept. of Physics and Astronomy
McMaster Univ., Hamilton, ON (Canada). Dept. of Physics and Astronom
McMaster Univ., Hamilton, ON (Canada). Dept. of Chemistry
Univ. of Manitoba, Winnipeg, MB (Canada)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Data Analysis and Visualization Division
Atomic Energy of Canada (AECL), Limited, Chalk River, ON (Canada). Canadian Neutron Beam Centre
McMaster Univ., Hamilton, ON (Canada). Dept. of Physics and Astronomy; Brockhouse Inst. for Materials Research, Hamilton, ON (Canada); Canadian Inst. for Advanced Research, Toronto, ON (Canada)
McMaster University

Publication Date:: Thu Feb 26 00:00:00 EST 2015

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1185738

Alternate Identifier(s):: OSTI ID: 1180011

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 91; Journal Issue: 7; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Kermarrec, E., Marjerrison, Casey A., Thompson, C. M., Maharaj, Dalini D., Levin, K., Kroeker, S., Granroth, Garrett E., Flacau, Roxana, Yamani, Zahra, Greedan, John E., and Gaulin, Bruce D. The frustrated fcc antiferromagnet Ba2 YOsO6: Structural characterization, magnetic properties and neutron scattering studies.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.91.075133.

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                    Kermarrec, E., Marjerrison, Casey A., Thompson, C. M., Maharaj, Dalini D., Levin, K., Kroeker, S., Granroth, Garrett E., Flacau, Roxana, Yamani, Zahra, Greedan, John E., & Gaulin, Bruce D. The frustrated fcc antiferromagnet Ba2 YOsO6: Structural characterization, magnetic properties and neutron scattering studies.  United States.  https://doi.org/10.1103/PhysRevB.91.075133

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                    Kermarrec, E., Marjerrison, Casey A., Thompson, C. M., Maharaj, Dalini D., Levin, K., Kroeker, S., Granroth, Garrett E., Flacau, Roxana, Yamani, Zahra, Greedan, John E., and Gaulin, Bruce D. Thu .  
"The frustrated fcc antiferromagnet Ba2 YOsO6: Structural characterization, magnetic properties and neutron scattering studies".  United States.  https://doi.org/10.1103/PhysRevB.91.075133.  https://www.osti.gov/servlets/purl/1185738.

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@article{osti_1185738,

  title        = {The frustrated fcc antiferromagnet Ba2 YOsO6: Structural characterization, magnetic properties and neutron scattering studies},

  author       = {Kermarrec, E. and Marjerrison, Casey A. and Thompson, C. M. and Maharaj, Dalini D. and Levin, K. and Kroeker, S. and Granroth, Garrett E. and Flacau, Roxana and Yamani, Zahra and Greedan, John E. and Gaulin, Bruce D.},

  abstractNote = {Here we report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba2 YOsO6. The Fm$\bar{3}$m space group is found both at 290 K and 3.5 K with cell constants a0=8.3541(4) Å and 8.3435(4) Å, respectively. Os5+ (5d3) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ~₋700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below TN~69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μB on Os5+. The ordered moment is much reduced from either the expected spin-only value of ~3 μB or the value appropriate to 4d3 Ru5+ in isostructural Ba2 YRuO6 of 2.2(1) μB, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T=67.45 K, and the existence of a second-ordered state. We find time-of-flight inelastic neutron results reveal a large spin gap Δ~17 meV, unexpected for an orbitally quenched, d3 electronic configuration. In conclusion, we discuss this in the context of the ~5 meV spin gap observed in the related Ru5+,4d3 cubic double perovskite Ba2YRuO6, and attribute the ~3 times larger gap to stronger SOC present in this heavier, 5d, osmate system.},

  doi          = {10.1103/PhysRevB.91.075133},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 7,

  volume       = 91,

  place        = {United States},

  year         = {Thu Feb 26 00:00:00 EST 2015},

  month        = {Thu Feb 26 00:00:00 EST 2015}

}

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Crystal and magnetic structures of Sr/sub 2/LuRuO/sub 6/, Ba/sub 2/YRuO/sub 6/, and Ba/sub 2/LuRuO/sub 6/

Journal Article Battle, P D ; Jones, C W - J. Solid State Chem.; (United States)

Powder neutron diffraction data have been used to refine the crystal and magnetic structures of the ordered perovskites Sr/sub 2/LuRuO/sub 6/, Ba/sub 2/YRuO/sub 6/, and Ba/sub 2/LuRuO/sub 6/. Sr/sub 2/LuRuO/sub 6/ is monoclinic, with space group P2/sub 1//n: a = 5.7400(1), b = 5.7375(1), c = 8.1118(2) /angstrom/, ..beta.. = 90.16(1)/degrees/. Ba/sub 2/YRuO/sub 6/ and Ba/sub 2/LuRuO/sub 6/ are cubic, with space group Fm3m: a = 8.3390(5) and 8.2720(4) /angstrom/, respectively. All three compounds are Type I antiferromagnets at 4.2 K with an ordered magnetic moment of /approximately/2 ..mu../sub B/ per Ru/sup 5 +/. High-temperature magnetic susceptibility data suggest thatmore »« less
https://doi.org/10.1016/0022-4596(89)90133-3

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journal, November 2014

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journal, November 2009

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journal, January 2010

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journal, September 2011

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