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

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

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

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 spectroscopy, C13 magic-angle spinning nuclear magnetic resonance spectroscopy, and density functional theory 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=12K, with a strongly reduced ordered moment (0.3μB) due to quantum fluctuations.

Original languageEnglish
Article number144421
JournalPhysical Review B
Volume97
Issue number14
DOIs
StatePublished - Apr 25 2018
Externally publishedYes

Funding

M.J.C. thanks Sidney Sussex College, University of Cambridge, for financial support. J.A.M.P. thanks Churchill College, University of Cambridge, for financial support. J.L. thanks Trinity College Cambridge for financial support. S.S., P.M. and S.E.D. acknowledge funding from the Winton Programme for the Physics of Sustainability. M.W.G. thanks the European Union's Horizon 2020 research and innovation program for support under the Marie Skłodowska-Curie Grant Agreement No. 659764. Computational resources were provided by the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. We acknowledge the Rutherford Appleton Laboratory for access to the ISIS Neutron Source. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Magnetic measurements were carried out using the Advanced Materials Characterisation Suite, funded by EPSRC Strategic Equipment Grant no. EP/M000524/1. We thank E. N. Keyzer for his assistance with diffuse reflectance measurements and M. Kumar and A. J. Pell for helpful discussions.

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