X-ray and neutron scattering

Abstract:

The antiferromagnetic (AFM) semimetal YbMnSb2 has recently been identified as a candidate topological material, driven by time-reversal symmetry breaking. Depending on the ordered arrangement of Mn spins below the Néel temperature, TN = 345 K, the electronic bands near the Fermi energy can either have a Dirac node, a Weyl node, or a nodal line. We have investigated the ground state magnetic structure of YbMnSb2 using unpolarized and polarized single crystal neutron diffraction. We find that the Mn moments lie along the c axis of the P4/nmm space group and are arranged in a C-type AFM structure, which implies the existence of gapped Dirac nodes near the Fermi level. The results highlight how different magnetic structures can critically affect the topological nature of fermions in semimetals.

Abstract:

[This corrects the article DOI: 10.1107/S1600576720015630.].

Abstract:

We report a study of the orientational order and phase transitions in crystalline deuterated methane, carried out using neutron total scattering and the reverse Monte Carlo method. The resultant atomic configurations are consistent with the average structures obtained from Rietveld refinement of the powder diffraction data, but additionally enable us to determine the C-D bond orientational distribution functions (ODF) for the disordered molecules in the high-temperature phase, and for both ordered and disordered molecules in the intermediate-temperature phase. We show that this approach gives more accurate information than can been obtained from fitting a bond ODF to diffraction data. Given the resurgence of interest in orientationally-disordered crystals, we argue that the approach of total scattering with the RMC method provides a unique quantification of orientational order and disorder.