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Data for Near-ideal molecule-based Haldane spin chain
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(2020) Data for Near-ideal molecule-based Haldane spin chain. [Dataset]
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Archive (ZIP) (Zipped archive file containing data underpinning figures in related article)
Williams_etal_haldane_alldata.zip - Published Version Available under License Creative Commons Attribution 4.0. Download (1774Kb) |
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Plain Text (Readme file)
ReadMe.txt - Published Version Available under License Creative Commons Attribution 4.0. Download (8Kb) |
Abstract
The molecular coordination complex NiI2(3,5-lut)4 [where (3,5-lut) = (3,5-lutidine) = (C7H9N)] has been synthesized and characterized by several techniques including synchrotron X-ray diffraction, ESR, SQUID magnetometry, pulsed-field magnetization, inelastic neutron scattering and muon spin relaxation. Templated by the configuration of 3,5-lut ligands the molecules pack in-registry with the Ni–I· · · I–Ni chains aligned along the c–axis. This arrangement leads to through-space I· · · I magnetic coupling which is directly measured for the first time in this work. The net result is a near-ideal realization of the S = 1 Haldane chain with J = 17.5 K and energy gaps of ∆∥ = 5.3 K ∆⊥ = 7.7 K, split by the easy-axis single-ion anisotropy D = −1.2 K. The ratio D/J = −0.07 affords one of the most isotropic Haldane systems yet discovered, while the ratio ∆0/J = 0.40(1) (where ∆0 is the average gap size) is close to its ideal theoretical value, suggesting a very high degree of magnetic isolation of the spin chains in this material. The Haldane gap is closed by orientation-dependent critical fields μ0Hc∥ = 5.3 T and μ0Hc⊥ = 4.3 T, which are readily accessible experimentally and permit investigations across the entirety of the Haldane phase, with the fully polarized state occurring at μ0Hs∥ = 46.0 T and μ0Hs⊥ = 50.7 T. The results are explicable within the so-called fermion model, in contrast to other reported easy-axis Haldane systems. Zero-field magnetic order is absent down to 20 mK and emergent end-chain effects are observed in the gapped state, as evidenced by detailed low-temperature measurements.
Item Type: | Dataset | ||||||||||||||||||||||||||||||||||||||||||||||||
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Subjects: | Q Science > QD Chemistry | ||||||||||||||||||||||||||||||||||||||||||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||||||||||||||||||||||||||||||||||||||||||
Type of Data: | Experimental data | ||||||||||||||||||||||||||||||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Molecules -- Magnetic properties, Magnetochemistry, Condensed matter -- Magnetic properties | ||||||||||||||||||||||||||||||||||||||||||||||||
Publisher: | University of Warwick, Department of Physics | ||||||||||||||||||||||||||||||||||||||||||||||||
Official Date: | 24 February 2020 | ||||||||||||||||||||||||||||||||||||||||||||||||
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Status: | Not Peer Reviewed | ||||||||||||||||||||||||||||||||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||||||||||||||||||||||||||||||||
Media of Output (format): | .dat .txt | ||||||||||||||||||||||||||||||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||||||||||||||||||||||||||||||||||||||
Copyright Holders: | University of Warwick | ||||||||||||||||||||||||||||||||||||||||||||||||
Description: | Zip file containing data files in .dat format underpinning figures in related publication. |
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Date of first compliant deposit: | 24 February 2020 | ||||||||||||||||||||||||||||||||||||||||||||||||
Date of first compliant Open Access: | 24 February 2020 | ||||||||||||||||||||||||||||||||||||||||||||||||
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