Spin-orbit coupling control of anisotropy, ground state and frustration in 5d2 Sr2 MgOsO6

Ryan Morrow; Alice E. Taylor; D. J. Singh; Jie Xiong; Steven Rodan; A. U.B. Wolter; Sabine Wurmehl; Bernd Büchner; M. B. Stone; A. I. Kolesnikov; Adam A. Aczel; A. D. Christianson; Patrick M. Woodward

doi:10.1038/srep32462

Spin-orbit coupling control of anisotropy, ground state and frustration in 5d₂ Sr₂ MgOsO₆

Ryan Morrow, Alice E. Taylor, D. J. Singh, Jie Xiong, Steven Rodan, A. U.B. Wolter, Sabine Wurmehl, Bernd Büchner, M. B. Stone, A. I. Kolesnikov, Adam A. Aczel, A. D. Christianson, Patrick M. Woodward

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Abstract

The influence of spin-orbit coupling (SOC) on the physical properties of the 5d₂ system Sr₂ MgOsO₆ is probed via a combination of magnetometry, specific heat measurements, elastic and inelastic neutron scattering, and density functional theory calculations. Although a significant degree of frustration is expected, we find that Sr₂ MgOsO₆ orders in a type I antiferromagnetic structure at the remarkably high temperature of 108 K. The measurements presented allow for the first accurate quantification of the size of the magnetic moment in a 5d₂ system of 0.60(2) μ B -a significantly reduced moment from the expected value for such a system. Furthermore, significant anisotropy is identified via a spin excitation gap, and we confirm by first principles calculations that SOC not only provides the magnetocrystalline anisotropy, but also plays a crucial role in determining both the ground state magnetic order and the size of the local moment in this compound. Through comparison to Sr₂ ScOsO₆, it is demonstrated that SOC-induced anisotropy has the ability to relieve frustration in 5d₂ systems relative to their 5d₃ counterparts, providing an explanation of the high T N found in Sr₂ MgOsO₆.

Original language	English
Article number	32462
Journal	Scientific Reports
Volume	6
DOIs	https://doi.org/10.1038/srep32462
State	Published - Aug 30 2016

Funding

Support for this research was provided by the Center for Emergent Materials an NSF Materials Research Science and Engineering Center (DMR-1420451), and in the framework of the materials world network (Deutsche Forschungsgemeinschaft DFG project no. WU595/5-1 and National Science Foundation (DMR-1107637)). S. Wurmehl gratefully acknowledges funding by DFG in project WU 595/3-3 (Emmy Noether program) and by DFG in SFB 1143. Research using Oak Ridge National Laboratory's Spallation Neutron Source and High Flux Isotope Reactor facilities was sponsored by the US Department of Energy, Office of Science, Basic Energy Sciences (BES), Scientific User Facilities Division. Work at the University of Missouri (DJS) was funded through the Department of Energy S3TEC Energy Frontier Research Center, award DE-SC0001299/DE-FG02- 09ER46577. The authors would like to acknowledge S. Calder and M. D. Lumsden for helpful discussions, and the authors also thankfully acknowledge Ashfia Huq for experimental assistance with POWGEN data collection. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doepublic- access-plan).

Funders	Funder number
DOE Public Access Plan
Department of Energy S3TEC Energy Frontier Research Center	DE-AC05-00OR22725, DE-SC0001299/DE-FG02- 09ER46577
United States Government
National Science Foundation	DMR-1107637
U.S. Department of Energy
Directorate for Mathematical and Physical Sciences	1420451, 1107637
Office of Science
Basic Energy Sciences
Oak Ridge National Laboratory
University of Missouri
Materials Research Science and Engineering Center, Harvard University	DMR-1420451
Deutsche Forschungsgemeinschaft	WU595/5-1, WU 595/3-3, SFB 1143

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@article{5ee185f945fa43cc8d3902a89f59144d,

title = "Spin-orbit coupling control of anisotropy, ground state and frustration in 5d2 Sr2 MgOsO6",

abstract = "The influence of spin-orbit coupling (SOC) on the physical properties of the 5d2 system Sr2 MgOsO6 is probed via a combination of magnetometry, specific heat measurements, elastic and inelastic neutron scattering, and density functional theory calculations. Although a significant degree of frustration is expected, we find that Sr2 MgOsO6 orders in a type I antiferromagnetic structure at the remarkably high temperature of 108 K. The measurements presented allow for the first accurate quantification of the size of the magnetic moment in a 5d2 system of 0.60(2) μ B -a significantly reduced moment from the expected value for such a system. Furthermore, significant anisotropy is identified via a spin excitation gap, and we confirm by first principles calculations that SOC not only provides the magnetocrystalline anisotropy, but also plays a crucial role in determining both the ground state magnetic order and the size of the local moment in this compound. Through comparison to Sr2 ScOsO6, it is demonstrated that SOC-induced anisotropy has the ability to relieve frustration in 5d2 systems relative to their 5d3 counterparts, providing an explanation of the high T N found in Sr2 MgOsO6.",

author = "Ryan Morrow and Taylor, {Alice E.} and Singh, {D. J.} and Jie Xiong and Steven Rodan and Wolter, {A. U.B.} and Sabine Wurmehl and Bernd B{\"u}chner and Stone, {M. B.} and Kolesnikov, {A. I.} and Aczel, {Adam A.} and Christianson, {A. D.} and Woodward, {Patrick M.}",

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doi = "10.1038/srep32462",

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AU - Morrow, Ryan

AU - Taylor, Alice E.

AU - Singh, D. J.

AU - Xiong, Jie

AU - Rodan, Steven

AU - Wolter, A. U.B.

AU - Wurmehl, Sabine

AU - Büchner, Bernd

AU - Stone, M. B.

AU - Kolesnikov, A. I.

AU - Aczel, Adam A.

AU - Christianson, A. D.

AU - Woodward, Patrick M.

PY - 2016/8/30

Y1 - 2016/8/30

N2 - The influence of spin-orbit coupling (SOC) on the physical properties of the 5d2 system Sr2 MgOsO6 is probed via a combination of magnetometry, specific heat measurements, elastic and inelastic neutron scattering, and density functional theory calculations. Although a significant degree of frustration is expected, we find that Sr2 MgOsO6 orders in a type I antiferromagnetic structure at the remarkably high temperature of 108 K. The measurements presented allow for the first accurate quantification of the size of the magnetic moment in a 5d2 system of 0.60(2) μ B -a significantly reduced moment from the expected value for such a system. Furthermore, significant anisotropy is identified via a spin excitation gap, and we confirm by first principles calculations that SOC not only provides the magnetocrystalline anisotropy, but also plays a crucial role in determining both the ground state magnetic order and the size of the local moment in this compound. Through comparison to Sr2 ScOsO6, it is demonstrated that SOC-induced anisotropy has the ability to relieve frustration in 5d2 systems relative to their 5d3 counterparts, providing an explanation of the high T N found in Sr2 MgOsO6.

AB - The influence of spin-orbit coupling (SOC) on the physical properties of the 5d2 system Sr2 MgOsO6 is probed via a combination of magnetometry, specific heat measurements, elastic and inelastic neutron scattering, and density functional theory calculations. Although a significant degree of frustration is expected, we find that Sr2 MgOsO6 orders in a type I antiferromagnetic structure at the remarkably high temperature of 108 K. The measurements presented allow for the first accurate quantification of the size of the magnetic moment in a 5d2 system of 0.60(2) μ B -a significantly reduced moment from the expected value for such a system. Furthermore, significant anisotropy is identified via a spin excitation gap, and we confirm by first principles calculations that SOC not only provides the magnetocrystalline anisotropy, but also plays a crucial role in determining both the ground state magnetic order and the size of the local moment in this compound. Through comparison to Sr2 ScOsO6, it is demonstrated that SOC-induced anisotropy has the ability to relieve frustration in 5d2 systems relative to their 5d3 counterparts, providing an explanation of the high T N found in Sr2 MgOsO6.

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Spin-orbit coupling control of anisotropy, ground state and frustration in 5d₂ Sr₂ MgOsO₆

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