-
The influence of hydrogen bonding on the melting points of sulfonate-based pr...
This dataset has no description
-
Single-crystal neutron diffraction study of sucrose at high pressure.
In the context of expanding the sample environments available for experiments on the SXD instrument, the Paris-Edinburgh press recently developed on PEARL offers the possibility... -
Neutron diffraction with a single crystal diamond
This dataset has no description
-
Radiation induced hydrogen abstraction - A combined X-ray and neutron diffrac...
X-ray induced radiation damage drastically limits the structural information accessible in diffraction experiments from macromolecules at 3rd generation synchrotrons. Relatively... -
Insight into 4-hydroxyacetophenone polymorphs from single crystal neutron dif...
Beside the lattice energy, vibrational entropy has an important contribution to polymorph stability. We have developed a new method (NoMoRe - Normal Mode Refinement), which... -
Static/dynamic disorder, ion migration and possible ferroelectricity in the h...
Solar cells based on a layer of halide perovskite have recently seen rapid increases in efficiency, with certified values in excess of 20%. The prototypical material of this... -
Anisotropic Displacement Parameters and Diffuse Scattering in Graphite
The accurate description of van-der-Waals forces within DFT is currently one of the most active areas of research in computational physics and chemistry. In the case of soft... -
Neutron diffuse scattering from multiferroic single crystal BiFeO3
BiFeO3 is a canonical multiferroic material. We know that local (nanoscale) order is crucial in explaining the behaviour of conventional ferroelectrics, and reciprocal space... -
Phonons from diffraction and normal mode analysis in HMT
With the overall aim of extending the information derivable in a neutron single crystal diffraction experiment beyond the static structure, we are proposing to perform a... -
Neutron Diffraction Studies on Double-Hydrogen-Bridged Diborane(4) Compound
The object of the proposed experiment is to definitively locate hydrogen atoms on the extraordinary short B¿B bond by single crystal neutron diffraction method. Because the... -
Quantum Spin Ice ground states and Structural Disorder in non-Kramers rare-ea...
Pyrochlore oxides based on non-Kramers rare-earth ions, such as Pr3+ and Tb3+, are candidate materials for the formation of the Quantum Spin Ice. However, structural disorder is... -
Detailed characterisation of metastable phase fractions in ZrW2O8
Cubic alpha-ZrW2O8 is the classic example of a material exhibiting the unusual property of negative thermal expansion (NTE). Despite this effect having been discovered 20 years... -
Phonons from diffraction and normal mode analysis in HMT
With the overall aim of extending the information derivable in a neutron single crystal diffraction experiment beyond the static structure, we are proposing to perform a... -
Long-range cationic ordering in metal-organic perovskite solid solutions
The structure of the metal guanadinium formates is analogous to perovskite; the Cu compound is of particular interest as a potential multiferroic. We have recently demonstrated... -
H/D isotope effect on enamtiomers: the case of Alanine
In the current description of any molecular system based on the Schrodinger equation with a Hamiltonian accounting only for the electromagnetic forces, the structural properties... -
Crystal structure of Kondo insulator single crystal CeRu2Al9.9Si0.1
This dataset has no description
-
A combination study of the antiferromagnetism and diffusive magnetic scatteri...
As far as we know there is no single crystal neutron study on ErPr_2Si_2 yet, mainly due to fabrication difficulties. We have grown large (diameter: 6 mm; length: 8 mm) single... -
Pressure Effects on Proton Migration 3,5-pyridinedicarboxylic Acid
Hydrogen bonds are ubiquitous in materials across the chemical spectrum, from inorganic to biological. They influence the structure, the functionality, and therefore the... -
Anomalous magnetism in oxygen-deficient scandium-doped spin ice
Our previous diffuse neutron scattering experiment on SXD showed that oxygen vacancies are the dominant defects in spin ice. The substitution of tetravalent titanium by... -
Structural Studies of 9-methyltriptycenes
We aim at obtaining reliable structural information for selected compounds from a series of four 9-methyltripticene derivatives. These compounds form in the solid state...
