Related papers: Atomic displacements in the "charge-ice" pyrochlor…
The NCrystal library provides a range of models for simulation of both elastic and inelastic scattering of thermal neutrons in a range of material structures. This article presents the available models for elastic scattering, and includes…
Nickelate materials offer diverse functionalities for energy and computing applications. Lithium nickel oxide (LiNiO$_2$) is an archetypal layered nickelate, but the electronic structure of this correlated material is not yet fully…
A theoretical study has been carried out to analyse the available results from the inelastic neutron scattering experiment performed on a quasi-two dimensional spin-1/2 ferromagnetic material $K_2CuF_4$. Our formalism is based on a…
The classification of structural phase transitions as displacive or order-disorder in character is usually based on spectroscopic data above the transition. We use single crystal x-ray diffraction to investigate structural correlations in…
The liquid, plastic crystalline and ordered crystalline phases of CBr$_4$ were studied using neutron powder diffraction. The measured total scattering differential cross-sections were modelled by Reverse Monte Carlo simulation techniques…
Neutron scattering is a powerful tool to study magnetic structures and dynamics, benefiting from a precisely established theoretical framework. The neutron dipole moment interacts with electrons in materials via their magnetic field, which…
We present a parametric study of the diffuse magnetic scattering at (1/2,1/2,1/2) positions in reciprocal space, ascribed to a frozen antiferromagnetic spin ice state in single crystalline Tb2Ti2O7. Our high-resolution neutron scattering…
The crystal structures of the Sr1-xCaxRuO3 perovskites are investigated using both long range and local structural probes. High resolution synchrotron powder X-ray diffraction characterization at ambient temperature shows that the materials…
Fictive associates are widely used to describe and model liquid phases with strong ordering trends. However, little evidence is known about the assumed associates in most cases. In the present work, an ab initio molecular dynamics (AIMD)…
We report a detailed study of structural and magnetic properties of the pyrochlore-type (Bi2-xPrx)Ru2O7 series. Eleven compositions with 0 <= x <= 2 were prepared by solid state reaction at 1050 degrees C and found to form a solid solution…
Within the standard three-neutrino framework, the absolute neutrino masses and their ordering (either normal, NO, or inverted, IO) are currently unknown. However, the combination of current data coming from oscillation experiments,…
High temperature crystal structure of UPt$_2$Si$_2$ determined using single-crystal neutron diffraction at 400 K is reported. It is found that the crystal structure remains of the primitive tetragonal CaBe$_2$Ge$_2$ type with the space…
We report a comprehensive neutron diffraction study of the crystal structure and magnetic order in a series of single-crystal and powder samples of SrFeO$_{3-\delta}$ in the vacancy range $0 \leq \delta \leq 0.23$. The data provide detailed…
The incoherent approximation for the determination of the vibrational density of states of glasses from inelastic neutron or x-ray scattering data is extended to treat the coherent scattering. The method is applied to new room temperature…
Parity violating electron nucleus scattering is a clean and powerful tool for measuring the spatial distributions of neutrons in nuclei with unprecedented accuracy. Parity violation arises from the interference of electromagnetic and weak…
We present an experimental study of the pyrochlore coumpound Nd2Zr2O7 by means of neutron scattering and magnetization measurements down to 90 mK. The Nd$^{3+}$ magnetic moments exhibit a strong local $\langle$111$\rangle$ Ising anisotropy…
Cubic energy materials such as thermoelectrics or hybrid perovskite materials are often understood to be highly disordered. In GeTe and related IV-VI compounds, this is thought to provide the low thermal conductivities needed for…
Atomic level defects such as dislocations play key roles in determining the macroscopic properties of crystalline materials. Their effects are important and wide-reaching, and range from increased chemical reactivity to enhanced mechanical…
Er$_2$Sn$_2$O$_7$ remains a puzzling case among the extensively studied frustrated compounds of the rare-earth pyrochlore family. Indeed, while a first order transition towards a long-range antiferromagnetic state with the so-called…
Neutron scattering is used to investigate the single-ion spin and orbital excitations below the Mott-Hubbard gap in CoO. Three excitations are reported at 0.870 $\pm$ 0.009 eV, 1.84 $\pm$ 0.03, and 2.30 $\pm$ 0.15 eV. These were…