Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O: A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al.

Tao Xie; S. E. Nikitin; A. I. Kolesnikov; E. Mamontov; L. M. Anovitz; G. Ehlers; I. Huskić; T. Friščić; A. Podlesnyak

doi:10.1103/PhysRevB.103.024402

Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O: A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al.

Tao Xie, S. E. Nikitin, A. I. Kolesnikov, E. Mamontov, L. M. Anovitz, G. Ehlers, I. Huskić, T. Friščić, A. Podlesnyak

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Abstract

We employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite NaMgFe(C2O4)3·9H2O. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersionless excitations at energy transfer 0.028(1) and 0.050(1) meV at base temperature, which are derived from the magnetic transitions between zero-field splitting (ZFS) of S=5/2 ground state multiplets of Fe3+ ion. Further analysis of the INS results shows that the Fe3+ ion has an easy-axis anisotropy with axial ZFS parameter D=-0.0128(5) meV and rhombic parameter E=0.0014(5) meV. The upward behavior at zero field and Schottky-like peak under magnetic field of the low-temperature magnetic specific heat further support the INS results. Our results clearly reveal the magnetic ground and excited state of this stepanovite polymorph.

Original language	English
Article number	024402
Journal	Physical Review B
Volume	103
Issue number	2
DOIs	https://doi.org/10.1103/PhysRevB.103.024402
State	Published - Jan 4 2021

Funding

Work at Oak Ridge National Laboratory was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. Work by L.M.A. was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. We would like to thank D.M. Pajerowski and I.A. Zaliznyak for stimulating discussions and J. Yan for the help with magnetic measurements. This research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. X-ray Laue measurement was conducted at the Center for Nanophase Materials Sciences (CNMS) (CNMS2019-R18) at the Oak Ridge National Laboratory (ORNL), which is a DOE Office of Science User Facility.

Funders	Funder number
Materials Science and Engineering Division
Office of Basic Energy Sciences
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Chemical Sciences, Geosciences, and Biosciences Division

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Xie, T., Nikitin, S. E., Kolesnikov, A. I., Mamontov, E., Anovitz, L. M., Ehlers, G., Huskić, I., Friščić, T., & Podlesnyak, A. (2021). Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O: A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al. Physical Review B, 103(2), Article 024402. https://doi.org/10.1103/PhysRevB.103.024402

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title = "Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O: A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al.",

abstract = "We employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite NaMgFe(C2O4)3·9H2O. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersionless excitations at energy transfer 0.028(1) and 0.050(1) meV at base temperature, which are derived from the magnetic transitions between zero-field splitting (ZFS) of S=5/2 ground state multiplets of Fe3+ ion. Further analysis of the INS results shows that the Fe3+ ion has an easy-axis anisotropy with axial ZFS parameter D=-0.0128(5) meV and rhombic parameter E=0.0014(5) meV. The upward behavior at zero field and Schottky-like peak under magnetic field of the low-temperature magnetic specific heat further support the INS results. Our results clearly reveal the magnetic ground and excited state of this stepanovite polymorph.",

author = "Tao Xie and Nikitin, {S. E.} and Kolesnikov, {A. I.} and E. Mamontov and Anovitz, {L. M.} and G. Ehlers and I. Huski{\'c} and T. Fri{\v s}{\v c}i{\'c} and A. Podlesnyak",

note = "Publisher Copyright: {\textcopyright} 2021 American Physical Society.",

year = "2021",

month = jan,

day = "4",

doi = "10.1103/PhysRevB.103.024402",

language = "English",

volume = "103",

journal = "Physical Review B",

issn = "2469-9950",

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Xie, T, Nikitin, SE, Kolesnikov, AI , Mamontov, E , Anovitz, LM , Ehlers, G, Huskić, I, Friščić, T & Podlesnyak, A 2021, 'Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O: A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al.', Physical Review B, vol. 103, no. 2, 024402. https://doi.org/10.1103/PhysRevB.103.024402

Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O: A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al. / Xie, Tao; Nikitin, S. E.; Kolesnikov, A. I. et al.
In: Physical Review B, Vol. 103, No. 2, 024402, 04.01.2021.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O

T2 - A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al.

AU - Xie, Tao

AU - Nikitin, S. E.

AU - Kolesnikov, A. I.

AU - Mamontov, E.

AU - Anovitz, L. M.

AU - Ehlers, G.

AU - Huskić, I.

AU - Friščić, T.

AU - Podlesnyak, A.

PY - 2021/1/4

Y1 - 2021/1/4

N2 - We employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite NaMgFe(C2O4)3·9H2O. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersionless excitations at energy transfer 0.028(1) and 0.050(1) meV at base temperature, which are derived from the magnetic transitions between zero-field splitting (ZFS) of S=5/2 ground state multiplets of Fe3+ ion. Further analysis of the INS results shows that the Fe3+ ion has an easy-axis anisotropy with axial ZFS parameter D=-0.0128(5) meV and rhombic parameter E=0.0014(5) meV. The upward behavior at zero field and Schottky-like peak under magnetic field of the low-temperature magnetic specific heat further support the INS results. Our results clearly reveal the magnetic ground and excited state of this stepanovite polymorph.

AB - We employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite NaMgFe(C2O4)3·9H2O. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersionless excitations at energy transfer 0.028(1) and 0.050(1) meV at base temperature, which are derived from the magnetic transitions between zero-field splitting (ZFS) of S=5/2 ground state multiplets of Fe3+ ion. Further analysis of the INS results shows that the Fe3+ ion has an easy-axis anisotropy with axial ZFS parameter D=-0.0128(5) meV and rhombic parameter E=0.0014(5) meV. The upward behavior at zero field and Schottky-like peak under magnetic field of the low-temperature magnetic specific heat further support the INS results. Our results clearly reveal the magnetic ground and excited state of this stepanovite polymorph.

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U2 - 10.1103/PhysRevB.103.024402

DO - 10.1103/PhysRevB.103.024402

M3 - Article

AN - SCOPUS:85099310723

SN - 2469-9950

VL - 103

JO - Physical Review B

JF - Physical Review B

IS - 2

M1 - 024402

ER -

Direct determination of the zero-field splitting for the Fe3+ ion in a synthetic polymorph of NaMgFe(C2 O4)3·9 H2 O: A natural metal-organic framework DIRECT DETERMINATION of the ZERO-FIELD ... TAO XIE et al.

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