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End date: 2024 × Start date: 2020 × DDC: 530 × Type: Text × Publisher: Woodbury, NY : Inst. × Subject: Antiferromagnetism ×

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    Extremely well isolated two-dimensional spin-1/2 antiferromagnetic Heisenberg layers with a small exchange coupling in the molecular-based magnet CuPOF
    (Woodbury, NY : Inst., 2020) Opherden, D.; Nizar, N.; Richardson, K.; Monroe, J.C.; Turnbull, M.M.; Polson, M.; Vela, S.; Blackmore, W.J.A.; Goddard, P.A.; Singleton, J.; Choi, E.S.; Xia, F.; Williams, R.C.; Lancaster, T.; Pratt, F.L.; Blundell, S.J.; Skourski, Y.; Uhlarz, M.; Ponomaryov, A.N.; Zvyagin, S.A.; Wosnitza, J.; Baenitz, M.; Heinmaa, I.; Stern, R.; Kühne, H.; Landee, C.P.
    We report on a comprehensive characterization of the newly synthesized Cu2+-based molecular magnet [Cu(pz)2(2-HOpy)2](PF6)2 (CuPOF), where pz=C4H4N2 and 2-HOpy=C5H4NHO. From a comparison of theoretical modeling to results of bulk magnetometry, specific heat, μ+SR, ESR, and NMR spectroscopy, this material is determined as an excellent realization of the two dimensional square-lattice S=12 antiferromagnetic Heisenberg model with a moderate intraplane nearest-neighbor exchange coupling of J/kB=6.80(5) K, and an extremely small interlayer interaction of about 1 mK. At zero field, the bulk magnetometry reveals a temperature-driven crossover of spin correlations from isotropic to XY type, caused by the presence of a weak intrinsic easy-plane anisotropy. A transition to long-range order, driven by the low-temperature XY anisotropy under the influence of the interlayer coupling, occurs at TN=1.38(2) K, as revealed by μ+SR. In applied magnetic fields, our H1-NMR data reveal a strong increase of the magnetic anisotropy, manifested by a pronounced enhancement of the transition temperature to commensurate long-range order at TN=2.8 K and 7 T. © 2020 authors.
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    Electronic correlations and magnetic interactions in infinite-layer NdNiO2
    (Woodbury, NY : Inst., 2020) Katukuri, Vamshi M.; Bogdanov, Nikolay A.; Weser, Oskar; Van den Brink, Jeroen; Alavi, Ali
    The large antiferromagnetic exchange coupling in the parent high-Tc cuprate superconductors is believed to play a crucial role in pairing the superconducting carriers. The recent observation of superconductivity in hole-doped infinite-layer (IL-) NdNiO2 brings to the fore the relevance of magnetic coupling in high-Tc superconductors, particularly because no magnetic ordering is observed in the undoped IL-NdNiO2, unlike in parent copper oxides. Here, we investigate the electronic structure and the nature of magnetic exchange in IL-NdNiO2 using state-of-the-art many-body quantum chemistry methods. From a systematic comparison of the electronic and magnetic properties with isostructural cuprate IL-CaCuO2, we find that the on-site dynamical correlations are significantly stronger in IL-NdNiO2 compared to the cuprate analog. These dynamical correlations play a critical role in the magnetic exchange resulting in an unexpectedly large antiferromagnetic nearest-neighbor isotropic J of 77 meV between the Ni1+ ions within the ab plane. While we find many similarities in the electronic structure between the nickelate and the cuprate, the role of electronic correlations is profoundly different in the two. We further discuss the implications of our findings in understanding the origin of superconductivity in nickelates. © 2020 authors.