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Register a new userAutomating Analysis of Neutron Scattering Time-of-Flight Single Crystal Phonon Data
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This article introduces software called Phonon Explorer that implements a data mining workflow for large datasets of the neutron scattering function, S(Q, {omega}), measured on time-of-flight neutron spectrometers. This systematic approach takes advantage of all useful data contained in the dataset. It includes finding Brillouin zones where specific phonons have the highest scattering intensity, background subtraction, combining statistics in multiple Brillouin zones, and separating closely spaced phonon peaks. Using the software reduces the time needed to determine phonon dispersions, linewidths, and eigenvectors by more than an order of magnitude.
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Temperature and field-dependent magnetization $M(H,T)$ measurements and neutron scattering study of a single crystal CeSb$_2$ are presented. Several anomalies in the magnetization curves have been confirmed at low magnetic field, i.e., 15.6 K, 12 K, and 9.8 K. These three transitions are all metamagnetic transitions (MMT), which shift to lower temperatures as the magnetic field increases. The anomaly at 15.6 K has been suggested as paramagnetic (PM) to ferromagnetic (FM) phase transition. The anomaly located at around 12 K is antiferromagnetic-like transition, and this turning point will clearly split into two when the magnetic field $Hgeq0.2$ T. Neutron scattering study reveals that the low temperature ground state of CeSb$_2$ orders antiferromagnetically with commensurate propagation wave vectors $textbf{k}=(-1,pm1/6,0)$ and $textbf{k}=(pm1/6,-1,0)$, with Neel temperature $T_Nsim9.8$ K. This transition is of first-order, as shown in the hysteresis loop observed by the field cooled cooling (FCC) and field cooled warming (FCW) processes.
We have studied the frustrated system YBaCo4O7 generally described as an alternating stacking of Kagome and triangular layers of magnetic ions on a trigonal lattice, by single crystal neutron diffraction experiments above the Neel ordering transition. Experimental data reveals pronounced magnetic diffuse scattering, which is successfully modeled by direct Monte-Carlo simulations. Long-range magnetic correlations are found along the c-axis, due to the presence of corner-sharing bipyramids, creating quasi one-dimensional order at finite temperature. In contrast, in the Kagome layers ab-plane, the spin-spin correlation function -displaying a short-range 120 degrees configuration- decays rapidly as typically found in spin-liquids. YBaCo4O7 experimentally realizes a new class of two-dimensional frustrated systems where the strong out-of-plane coupling does not lift the in-plane degeneracy, but instead act as an external field.
An instrument and software algorithm is described for the purpose of characterization of large single crystals at the Alignment Facility (ALF) of the ISIS spallation neutron source. We describe a method for both characterizing the quality of the sample and also aligning it in a particular scattering plane. We present a software package written for this instrument and demonstrate its utility by way of an example of the structural characterization of large singles crystals of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$. We suggest extensions and modifications of characterization instruments for future improved beamlines. It is hoped that this software will be used by the neutron user community for pre characterizing large single crystals for spectroscopy experiments and that future facilities will include such a facility as part of the spectroscopy suite at spallation neutron sources.
Here, we report successful single crystal growth of SnSb2Te4 using the self-flux method. Unidirectional crystal growth is confirmed through X Ray Diffraction (XRD) pattern taken on mechanically cleaved crystal flake while the rietveld refined Powder XRD (PXRD) pattern confirms the phase purity of the grown crystal. Scanning Electron Microscopy (SEM) image and Energy Dispersive X-Ray analysis (EDAX) confirm crystalline morphology and exact stoichiometry of constituent elements. Vibrational Modes observed in Raman spectra also confirm the formation of the SnSb2Te4 phase. DC resistivity measurements confirm the metallic character of the grown crystal. Magneto-transport measurements up to 5T show a nonsaturating low magneto-resistance percentage. V type cusp and Hikami Larkin Nagaoka (HLN) fitting at lower field confirms the Weak Anti-localization (WAL) effect in SnSb2Te4. Density Functional Theory (DFT) calculations were showing topological non-trivial electronic band structure. It is the first-ever report on MR study and WAL analysis of SnSb2Te4 single crystal.
We have investigated the temperature evolution of the magnetic structures of HoFeO$_3$ by single crystal neutron diffraction. The three different magnetic structures found as a function of temperature for hfo are described by the magnetic groups Pb$$n$2_1$, Pbn$2_1$ and Pbn$2_1$ and are stable in the temperature ranges $approx$ 600-55~K, 55-37~K and 35$>T>2$~K respectively. In all three the fundamental coupling between the Fe sub-lattices remains the same and only their orientation and the degree of canting away from the ideal axial direction varies. The magnetic polarisation of the Ho sub-lattices in these two higher temperature regions, in which the major components of the Fe moment lie along $x$ and $y$, is very small. The canting of the moments from the axial directions is attributed to the antisymmetric interactions allowed by the crystal symmetry. They include contributions from single ion anisotropy as well as the Dzyaloshinski antisymmetric exchange. In the low temperature phase two further structural transitions are apparent in which the spontaneous magnetisation changes sign with respect to the underlying antiferromagnetic configuration. In this temperature range the antisymmetric exchange energy varies rapidly as the the Ho sub-lattices begin to order. So long as the ordered Ho moments are small the antisymmetric exchange is due only to Fe-Fe interactions, but as the degree of Ho order increases the Fe-Ho interactions take over whilst at the lowest temperatures, when the Ho moments approach saturation the Ho-Ho interactions dominate. The reversals of the spontaneous magnetisation found in this study suggest that in hfo the sums of the Fe-Fe and Ho-Ho antisymmetric interactions have the same sign as one another, but that of the Ho-Fe terms is opposite.
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