Low-dimensional quantum magnetism in Cu(NCS)$_2$: A molecular framework material (1710.04889v3)

Abstract: Low-dimensional magnetic materials with spin-$\frac{1}{2}$ 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, $^{13}$C 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 ($J_2 = 133(1)$ K, $\alpha = J_1/J_2 = 0.08$). Powder neutron-diffraction measurements confirm that Cu(NCS)$_2$ orders as a commensurate antiferromagnet below $T\mathrm{N} = 12$ K, with a strongly reduced ordered moment (0.3 $\mu_\mathrm{B}$) due to quantum fluctuations.