Magnetic structure, excitations and short-range order in honeycomb Na2Ni2TeO6

Episcopo, Nathan; Chang, Po-Hao; Heitmann, Thomas W.; Wangmo, Kinley; McKamey Guthrie, James; Fitta, Magdalena; Klein, Ryan A.; Poudel, Narayan; Gofryk, Krzysztof; Zope, Rajendra R.; Brown, Craig M.; Nair, Harikrishnan S.

doi:10.1088/1361-648x/ac0ea6

Title: Magnetic structure, excitations and short-range order in honeycomb Na₂Ni₂TeO₆

Journal Article · Thu Jul 15 00:00:00 EDT 2021 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/1361-648x/ac0ea6· OSTI ID:1808682

Episcopo, Nathan ^[1]; Chang, Po-Hao ^[1]; Heitmann, Thomas W. ^[2]; Wangmo, Kinley ^[1]; McKamey Guthrie, James ^[2];

^[3];

^[4]; Poudel, Narayan ^[5];

^[6];

^[1]; Brown, Craig M. ^[7];

^[1]

Univ. of Texas at El Paso, TX (United States)
Univ. of Missouri, Columbia, MO (United States)
Polish Academy of Sciences (PAS), Krakow (Poland)
Univ. of Texas at El Paso, TX (United States); National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Idaho National Lab. (INL), Idaho Falls, ID (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)

Na₂Ni₂TeO₆ has a layered hexagonal structure with a honeycomb lattice constituted by Ni²⁺ and a chiral charge distribution of Na⁺ that resides between the Ni layers. In the present work, the antiferromagnetic transition temperature of Na₂Ni₂TeO₆ is confirmed at TN˜ 27 K, and further, it is found to be robust up to 8 T magnetic field and 1.2 GPa external pressure; and, without any frequency-dependence. Slight deviations from nominal Na-content (up to 5%) does not seem to influence the magnetic transition temperature, TN. Isothermal magnetization curves remain almost linear up to 13 T. Our analysis of neutron diffraction data shows that the magnetic structure of Na₂Ni₂TeO₆ is faithfully described by a model consisting of two phases described by the commensurate wave vectors vec kc, (0.5 0 0) and (0.5 0 0.5), with an additional short-range order component incorporated in to the latter phase. Consequently, a zig-zag long-range ordered magnetic phase of Ni²⁺ results in the compound, mixed with a short-range ordered phase, which is supported by our specific heat data. Theoretical computations based on density functional theory (DFT) predict predominantly in-plane magnetic exchange interactions that conform to a J1-J2-J3 model with a strong J3 term. The computationally predicted parameters lead to a reliable estimate for TN and the experimentally observed zig-zag magnetic structure. A spin wave excitation in Na₂Ni₂TeO₆ at E ˜ 5 meV at T = 5 K is mapped out through inelastic neutron scattering experiments, which is reproduced by linear spin wave theory calculations using the J values from our computations. Our specific heat data and inelastic neutron scattering data strongly indicate the presence of short-range spin correlations, at T > TN, stemming from incipient antiferromagnetic clusters.

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Research Organization:: National Renewable Energy Lab. (NREL), Golden, CO (United States); Idaho National Lab. (INL), Idaho Falls, ID (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office

Grant/Contract Number:: AC36-08GO28308; AC07-05ID14517

OSTI ID:: 1808682

Alternate ID(s):: OSTI ID: 1811703

Report Number(s):: NREL/JA-5900-76750; INL/JOU-20-58007-Rev000; MainId:9411; UUID:974882ca-ff96-4a62-bda0-6a95bb47fa0c; MainAdminID:25802

Journal Information:: Journal of Physics. Condensed Matter, Vol. 33, Issue 37; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (22)

The Heisenberg antiferromagnet on an anisotropic triangular lattice: linear spin-wave theory Merino, J.; McKenzie, Ross H.; Marston, J. B. Journal of Physics: Condensed Matter, Vol. 11, Issue 14 https://doi.org/10.1088/0953-8984/11/14/012	journal	January 1999
Local spin density functional approach to the theory of exchange interactions in ferromagnetic metals and alloys Liechtenstein, A. I.; Katsnelson, M. I.; Antropov, V. P. Journal of Magnetism and Magnetic Materials, Vol. 67, Issue 1 https://doi.org/10.1016/0304-8853(87)90721-9	journal	May 1987
Observation of two types of fractional excitation in the Kitaev honeycomb magnet Janša, Nejc; Zorko, Andrej; Gomilšek, Matjaž Nature Physics, Vol. 14, Issue 8 https://doi.org/10.1038/s41567-018-0129-5	journal	May 2018
An investigation of the quantum J 1 - J 2 - J 3 model on the honeycomb lattice Fouet, J. B.; Sindzingre, P.; Lhuillier, C. The European Physical Journal B, Vol. 20, Issue 2 https://doi.org/10.1007/s100510170273	journal	March 2001
Na 2 Ni 2 TeO 6 : Evaluation as a cathode for sodium battery Gupta, Asha; Buddie Mullins, C.; Goodenough, John B. Journal of Power Sources, Vol. 243 https://doi.org/10.1016/j.jpowsour.2013.06.073	journal	December 2013
Long-range and short-range ordering in 2D honeycomb-lattice magnet Na2Ni2TeO6 Kurbakov, Alexander I.; Korshunov, Artem N.; Podchezertsev, Stanislav Yu Journal of Alloys and Compounds, Vol. 820 https://doi.org/10.1016/j.jallcom.2019.153354	journal	April 2020
OpenMx: An Open Source Extended Structural Equation Modeling Framework Boker, Steven; Neale, Michael; Maes, Hermine Psychometrika, Vol. 76, Issue 2 https://doi.org/10.1007/s11336-010-9200-6	journal	January 2011
Linear spin wave theory for single-Q incommensurate magnetic structures Toth, S.; Lake, B. Journal of Physics: Condensed Matter, Vol. 27, Issue 16 https://doi.org/10.1088/0953-8984/27/16/166002	journal	March 2015
Sodium layer chiral distribution and spin structure of ${Na}_{2} {Ni}_{2} {TeO}_{6}$ with a Ni honeycomb lattice Karna, Sunil K.; Zhao, Y.; Sankar, R. Physical Review B, Vol. 95, Issue 10 https://doi.org/10.1103/physrevb.95.104408	journal	March 2017
Topological Magnon Bands in a Kagome Lattice Ferromagnet Chisnell, R.; Helton, J. S.; Freedman, D. E. Physical Review Letters, Vol. 115, Issue 14 https://doi.org/10.1103/physrevlett.115.147201	journal	September 2015
Proximate Kitaev quantum spin liquid behaviour in a honeycomb magnet Banerjee, A.; Bridges, C. A.; Yan, J. -Q. Nature Materials, Vol. 15, Issue 7 https://doi.org/10.1038/nmat4604	journal	April 2016
Anyons in an exactly solved model and beyond Kitaev, Alexei Annals of Physics, Vol. 321, Issue 1 https://doi.org/10.1016/j.aop.2005.10.005	journal	January 2006
DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data Azuah, Richard Tumanjong; Kneller, Larry R.; Qiu, Yiming Journal of Research of the National Institute of Standards and Technology, Vol. 114, Issue 6 https://doi.org/10.6028/jres.114.025	journal	November 2009
Magnetic properties of the layered nickel compounds BaNi2(PO4)2 and BaNi2(AsO4)2 Regnault, L. P.; Henry, J. Y.; Rossat-Mignod, J. Journal of Magnetism and Magnetic Materials, Vol. 15-18 https://doi.org/10.1016/0304-8853(80)90869-0	journal	January 1980
Neutron scattering in the proximate quantum spin liquid α-RuCl ₃ Banerjee, Arnab; Yan, Jiaqiang; Knolle, Johannes Science, Vol. 356, Issue 6342 https://doi.org/10.1126/science.aah6015	journal	June 2017
Studies on solid solutions based on layered honeycomb-ordered phases P2-Na2M2TeO6 (M=Co, Ni, Zn) Berthelot, Romain; Schmidt, Whitney; Sleight, A. W. Journal of Solid State Chemistry, Vol. 196 https://doi.org/10.1016/j.jssc.2012.06.022	journal	December 2012
Spin Correlations and Short‐Range Magnetic Order in the Honeycomb‐Layered Na ₂ Ni ₂ TeO ₆ Korshunov, Artem; Safiulina, Irina; Kurbakov, Alexander physica status solidi (b), Vol. 257, Issue 3 https://doi.org/10.1002/pssb.201900232	journal	August 2019
Structure and Magnetic Properties of the α-NaFeO ₂ -Type Honeycomb Compound Na ₃ Ni ₂ BiO ₆ Seibel, Elizabeth M.; Roudebush, J. H.; Wu, Hui Inorganic Chemistry, Vol. 52, Issue 23 https://doi.org/10.1021/ic402131e	journal	November 2013
Zig-zag magnetic ordering in honeycomb-layered Na3Co2SbO6 Wong, Cheryl; Avdeev, Maxim; Ling, Chris D. Journal of Solid State Chemistry, Vol. 243 https://doi.org/10.1016/j.jssc.2016.07.032	journal	November 2016
A New Family of Fast Sodium Ion Conductors: Na ₂ M ₂ TeO ₆ (M = Ni, Co, Zn, Mg) Evstigneeva, Maria A.; Nalbandyan, Vladimir B.; Petrenko, Aleksandr A. Chemistry of Materials, Vol. 23, Issue 5 https://doi.org/10.1021/cm102629g	journal	March 2011
²³ Na Nuclear Spin–Lattice Relaxation Studies of Na ₂ Ni ₂ TeO ₆ Itoh, Yutaka Journal of the Physical Society of Japan, Vol. 84, Issue 6 https://doi.org/10.7566/jpsj.84.064714	journal	June 2015
Rechargeable Sodium All-Solid-State Battery Zhou, Weidong; Li, Yutao; Xin, Sen ACS Central Science, Vol. 3, Issue 1 https://doi.org/10.1021/acscentsci.6b00321	journal	January 2017

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neutron scattering

Title: Magnetic structure, excitations and short-range order in honeycomb Na2Ni2TeO6

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Title: Magnetic structure, excitations and short-range order in honeycomb Na₂Ni₂TeO₆