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oai:figshare.com:article/33814675 2026-09-15T18:00:30Z portal_1197 item_type_3 month_year_09_2026

Data for Spatially-anisotropic S = 1 square-lattice antiferromagnet with single-ion anisotropy realized in a Ni(II) Pyrazine-N,N’-dioxide (pyzdo) coordination polymer Jamie L. Manson (1409152) Daniel M. Pajerowski (2199835) Jeffery M. Donovan (24950251) Brendan W. Twamley (24863389) Paul Goddard (564595) Roger D. Johnson (1549621) Jesper Bendix (1319499) John Singleton (1411675) Tom Lancaster (1422454) Stephen J. Blundell (1352358) Jacek Herbrych (24950254) Peter J. Baker (1983652) Andrew J. Steele (614632) Francis L. Pratt (1422478) Isabel Franke-Chaudet (24950257) Ross D. McDonald (2185438) Alex Plonczak (2112211) Pascal Manuel (1549624) Magnetism Antiferromagnetism Quantum theory Migrated from ePrints The Ni(NCS)2(pyzdo)2 coordination polymer is found to be an S = 1 spatially-anisotropic square lattice with easy-axis single-ion anisotropy. This conclusion is based upon considering in concert the experimental probes X-ray diffraction, magnetic susceptibility, magnetic-field-dependent heat capacity, muon-spin relaxation, neutron diffraction, neutron spectroscopy, and pulsed field magnetization. Long range antiferromagnetic order develops at TN = 18.5 K. Although the samples are polycrystalline, there is an observable spin-flop transition and saturation of the magnetization at ≈80 T. Linear spin-wave theory yields spatially-anisotropic exchanges within an antiferromagnetic square lattice, Jx = 0.235 meV, Jy = 2.014 meV, and an easy-axis single-ion anisotropy D = −1.622 meV (after renormalization). The anisotropy of the exchanges is supported by density functional theory.<br><br>Dataset to support a paper accepted in Physical Review B. 2023-10-30T00:00:00Z Dataset Dataset 10.82444/warw.33814675.v1 https://figshare.com/articles/dataset/Data_for_Spatially-anisotropic_S_1_square-lattice_antiferromagnet_with_single-ion_anisotropy_realized_in_a_Ni_II_Pyrazine-N_N_-dioxide_pyzdo_coordination_polymer/33814675 CC BY 4.0