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

Cliffe, Matthew J.; Lee, Jeongjae; Paddison, Joseph A.M.; Schott, Sam; Mukherjee, Paromita; Gaultois, Michael W.; Manuel, Pascal; Sirringhaus, Henning; Dutton, Siân E.; Grey, Clare P.

Abstract

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, α=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 μB) due to quantum fluctuations.

Citation

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), https://doi.org/10.1103/physrevb.97.144421

• 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
• DOI: https://doi.org/10.1103/physrevb.97.144421
• Public URL: https://nottingham-repository.worktribe.com/output/1430767
• Publisher URL: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.144421
• Additional Information: Research data available here https://www.repository.cam.ac.uk/handle/1810/274825