Neutron diffraction of hydrogenous materials: measuring incoherent and coherent intensities separately from liquid water - a 40-year-old puzzle solved

(short version) Accurate determination of the coherent static structure factor of disordered materials containing proton nuclei is prohibitively difficult by neutron diffraction, due to the large incoherent cross section of $^1$H. This notorious problem has set severe obstacles to the structure determination of hydrogenous materials up to now, via introducing large uncertainties into neutron diffraction data processing. Here we present the first accurate separate measurements, using polarized neutron diffraction, of the coherent and incoherent contributions to the total static structure factor of 5 mixtures of light and heavy water, over an unprecedentedly wide momentum transfer range. The structure factors of H$_2$O and D$_2$O mixtures derived in this work may signify the beginning of a new era in the structure determination of hydrogenous materials, using neutron diffraction.Comment: 8 page

Spin liquid correlations in Nd-langasite anisotropic Kagom\'e antiferromagnet

Dynamical magnetic correlations in the geometrically frustrated Nd$\_3$Ga$\_5$SiO$\_{14}$ compound were probed by inelastic neutron scattering on a single crystal. A scattering signal with a ring shape distribution in reciprocal space and unprecedented dispersive features was discovered. Comparison with calculated static magnetic scattering from models of correlated spins suggests that the observed phase is a spin liquid inherent to an antiferromagnetic kagom\'e-like lattice of anisotropic Nd moments.Comment: 4 page

Magnetic excitations in the topological semimetal YbMnSb2\mathrm{YbMnSb}_2

We report neutron scattering measurements on YbMnSb$_2$ which shed new light on the nature of the magnetic moments and their interaction with Dirac fermions. Using half-polarized neutron diffraction we measured the field-induced magnetization distribution in the paramagnetic phase and found that the magnetic moments are well localised on the Mn atoms. Using triple-axis neutron scattering we measured the magnon spectrum throughout the Brillouin zone in the antiferromagnetically ordered phase, and we determined the dominant exchange interactions from linear spin-wave theory. The analysis shows that the interlayer exchange is five times larger than in several related compounds containing Bi instead of Sb. We argue that the coupling between the Mn local magnetic moments and the topological band states is more important in YbMnSb$_2$ than in the Bi compounds.Comment: 8 pages, 8 figures. Submitted to Physical Review

Magnetic and electronic structure of the topological semimetal YbMnSb2_2

The antiferromagnetic (AFM) semimetal YbMnSb$_2$ 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 N\'{e}el temperature, $T_\mathrm{N}$ = 345 K, the electronic bands near the Fermi energy can ether have a Dirac node, a Weyl node or a nodal line. We have investigated the ground state magnetic structure of YbMnSb$_2$ 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

Gradual localization of 5f states in orthorhombic UTX ferromagnets - polarized neutron diffraction study of Ru substituted UCoGe

We report on a microscopic study of the evolution of ferromagnetism in the Ru substituted ferromagnetic superconductor (FM SC) UCoGe crystallizing in the orthorhombic TiNiSi-type structure. For that purpose, two single crystals with composition UCo0.97Ru0.03Ge and UCo0.88Ru0.12Ge have been prepared and characterized by magnetization, AC susceptibility, specific heat and electrical resistivity measurements. Both compounds have been found to order ferromagnetically below TC = 6.5 K and 7.5 K, respectively, which is considerably higher than the TC = 3 K of the parent compound UCoGe. The higher values of TC are accompanied by enhanced values of the spontaneous moment mspont. = 0.11 mB/f.u. and mspont. = 0.21 mB/f.u., respectively in comparison to the tiny spontaneous moment of UCoGe (about 0.07mB/f.u.). No sign of superconductivity was detected in either compound. The magnetic moments of the samples were investigated on the microscopic scale using polarized neutron diffraction (PND) and for UCo0.88Ru0.12Ge also by soft X-ray magnetic circular dichroism (XMCD). The analysis of the PND results indicates that the observed enhancement of ferromagnetism is mainly due to the growth of the orbital part of the uranium 5f moment mL(U), reflecting a gradual localization of the 5f electrons with Ru substitution. In addition, the parallel orientation of the U and Co moments has been established in both substituted compounds. The results are discussed and compared with related isostructural ferromagnetic UTX compounds (T - transition metals, X - Si, Ge) in the context of a varying degree of the 5f-ligand hybridization

Polarized neutron diffraction of Hexagonal-(Mn0.78Fe0.22)3Ge

Topological quantum materials have attracted enormous attention since their discovery due to the observed anomalous transport effects (ATE), which originate from the non-zero Berry curvature. Mn3Ge has gained special attention because anomalous transport effects can be studied below the Néel temperature (365 K), down to 2 K [1]. Since ATE emerge from the robust topological band structure, it is interesting to study the effects of Fe doping on ATE in (Mn1-xFex)3Ge. Our transport measurements show the existence of an anomalous Hall effect (AHE) in the intermediate temperature range for the 22% Fe doped sample. However, the origin of the AHE cannot be attributed to Weyl points without knowledge of the ground state magnetic structure of doped samples. Therefore, we have performed polarized neutron diffraction from the (Mn0.78Fe0.22)3Ge sample using the D3 CRYOPAD setup at ILL, France. Our analysis concludes that the magnetic structure of the 22% Fe doped sample remains the same as Mn3Ge in the temperature range where AHE is observed. This suggests that the physics behind AHE observed in doped samples is most likely the same as in Mn3Ge. Therefore, it can be argued that the Weyl Fermions do not vanish by suitable doping of the sample, as long as the magnetic structure of the doped samples remains the same

Crystal structure and distortion of superconducting CuxBi2Se3

The crystal structure of the candidate topological superconductor CuxBi2Se3 was studied by single-crystal neutron diffraction using samples obtained by inserting the Cu dopant electrochemically. Neither structural refinements nor calculated scattering-density maps find a significant occupation of Cu at the intercalation site between the quintuple layers of Bi2Se3. Following Bragg reflection intensities as a function of temperature, there is no signature of a structural phase transition between 295 and 2 K. However, the analysis of large sets of Bragg reflections indicates a small structural distortion breaking the rotational axis due to small displacements of the Bi ions