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Magnetic Structure, Excitations and Short-Range order in Honeycomb Na2Ni2TeO6



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


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 TNapproximately equal}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. Our analysis of neutron diffraction data shows that the magnetic structure of Na2Ni2TeO6is faithfully described by a model consisting of two phases described by the commensurate wave vectors kc, (0:5 0 0) and (0:5 0 0:5), with an additional short-range order component incorporated in to the latter phase. Comparable, but slightly quantitatively poorer refinement results are obtained by using a commensurate wave vector (0:5 0 0) together with the proposed incommensurate kic, (0:47 0:44 0:28). Consequently, a zig-zag long-range ordered magnetic phase of Ni2+ results in the compound, mixed with a short-range ordered phase. Theoretical computations based on density functional theory 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 Eapproximately equal} 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.
Journal of Physics: Condensed Matter


Episcopo, N. , Chang, P. , Heitmann, T. , Wangmo, K. , Guthrie, J. , Fitta, M. , Klein, R. , Poudel, N. , Gofryk, K. , Zope, R. , Brown, C. and Nair, H. (2021), Magnetic Structure, Excitations and Short-Range order in Honeycomb Na<sub>2</sub>Ni<sub>2</sub>TeO<sub>6</sub>, Journal of Physics: Condensed Matter (Accessed February 21, 2024)
Created July 14, 2021, Updated September 20, 2021