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Data for Extremely well-isolated 2D spin-1/2 antiferromagnetic Heisenberg layers with small exchange coupling in the molecular-based magnet CuPOF

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Opherden, D., Nizar, N., Richardson, K. (Keith), Monroe, J. C., Turnbull, M. M., Polson, M., Vela, S., Blackmore, William J. A., Goddard, Paul, Singleton, J. et al.
(2020) Data for Extremely well-isolated 2D spin-1/2 antiferromagnetic Heisenberg layers with small exchange coupling in the molecular-based magnet CuPOF. [Dataset]

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CuPOF_PRB_2020.zip - Published Version
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Abstract

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 1H-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.

Item Type: Dataset
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
Divisions: Faculty of Science, Engineering and Medicine > Science > Physics
Type of Data: Experimental data
Library of Congress Subject Headings (LCSH): Nuclear magnetic resonance spectroscopy, Antiferromagnetism, Heisenberg uncertainty principle, Lattice theory, Anisotropy
Publisher: University of Warwick, Department of Chemistry
Official Date: 3 August 2020
Dates:
DateEvent
3 August 2020Created
Status: Not Peer Reviewed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:

Data record consists of a zip archive containing the raw data in .dat format and the accompanying readme file.
Data underpins figures 5, 6, S4 and S10 in the corresponding publication. Further information on specific data files can be found in the accompanying readme file.

Date of first compliant deposit: 21 December 2020
Date of first compliant Open Access: 21 December 2020
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
SFB 1143[DFG] Deutsche Forschungsgemeinschafthttp://dx.doi.org/10.13039/501100001659
EXC 2147, project ID 39085490[DFG] Deutsche Forschungsgemeinschafthttp://dx.doi.org/10.13039/501100001659
DMR-1157490[NSF] National Science Foundation (US)http://dx.doi.org/10.13039/100000001
DMR-1644779[NSF] National Science Foundation (US)http://dx.doi.org/10.13039/100000001
Basic Energy Science Field Work Project Science in 100 [DOE] U.S. Department of Energyhttp://dx.doi.org/10.13039/100000015
681260[ERC] Horizon 2020 Framework Programmehttp://dx.doi.org/10.13039/100010661
UNSPECIFIED[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
ZV 6/2-2. I[DFG] Deutsche Forschungsgemeinschafthttp://dx.doi.org/10.13039/501100001659
TK134[ERDF] European Regional Development Fundhttp://dx.doi.org/10.13039/501100008530
PRG4, IUT23-7Estonian Research Competency Councilhttp://dx.doi.org/10.13039/501100005189
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Contributors:
ContributionNameContributor ID
DepositorGoddard, Paul55678

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