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Low-dimensional quantum magnetism in Cu(NCS)2: a molecular framework material


Jeongjae Lee

Joseph A.M. Paddison

Sam Schott

Paromita Mukherjee

Michael W. Gaultois

Pascal Manuel

Henning Sirringhaus


Clare P. Grey


Low-dimensional magnetic materials with spin-12 moments can host a range of exotic magnetic phenomena due to the intrinsic importance of quantum fluctuations to their behavior. Here, we report the structure, magnetic structure and magnetic properties of copper(II) thiocyanate, Cu(NCS)2, a one-dimensional coordination polymer which displays low-dimensional quantum magnetism. Magnetic susceptibility, electron paramagnetic resonance (EPR) spectroscopy, 13C magic-angle spinning nuclear magnetic resonance (MASNMR) spectroscopy, and density functional theory (DFT) investigations indicate that Cu(NCS)2 behaves as a two-dimensional array of weakly coupled antiferromagnetic spin chains (J2=133(1) K, ?=J1/J2=0.08). Powder neutron-diffraction measurements confirm that Cu(NCS)2 orders as a commensurate antiferromagnet below TN=12 K, with a strongly reduced ordered moment (0.3 ?B) due to quantum fluctuations.


Cliffe, M. J., Lee, J., Paddison, J. A., Schott, S., Mukherjee, P., Gaultois, M. W., …Grey, C. P. (2018). Low-dimensional quantum magnetism in Cu(NCS)2: a molecular framework material. Physical Review B, 97(14),

Journal Article Type Article
Acceptance Date Apr 25, 2018
Online Publication Date Apr 25, 2018
Publication Date Apr 25, 2018
Deposit Date Dec 20, 2018
Publicly Available Date Dec 20, 2018
Journal Physical Review B
Print ISSN 2469-9950
Electronic ISSN 2469-9969
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 97
Issue 14
Public URL
Publisher URL
Additional Information Research data available here


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